135139-00-3 (C52H48P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

InChI

InChI=1S/C52H48P2/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h9-32H,1-8H3

InChIKey

MXGXXBYVDMVJAO-UHFFFAOYSA-N

Compound name

[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	735.330376	298.3
[M+Na]+	757.312318	300.5
[M-H]-	733.315824	311.9
[M+NH4]+	752.356923	295.2
[M+K]+	773.286258	291.7
[M+H-H2O]+	717.320360	273.6
[M+HCOO]-	779.321301	316.6
[M+CH3COO]-	793.336951	298.5
[M+Na-2H]-	755.297766	279.6
[M]+	734.32255142	296.3
[M]-	734.32364858	296.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

735.330376

298.3

[M+Na]+

757.312318

300.5

[M-H]-

733.315824

311.9

[M+NH4]+

752.356923

295.2

[M+K]+

773.286258

291.7

[M+H-H2O]+

717.320360

273.6

[M+HCOO]-

779.321301

316.6

[M+CH3COO]-

793.336951

298.5

[M+Na-2H]-

755.297766

279.6

[M]+

734.32255142

296.3

[M]-

734.32364858

296.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

135139-00-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe