CID 4190002

145964-33-6

Structural Information

Molecular Formula
C33H25OP
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)P(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
InChIKey
KRWTWSSMURUMDE-UHFFFAOYSA-N
Compound name
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1319
Patents

468.1643 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17158 221.5
[M+Na]+ 491.15352 226.9
[M-H]- 467.15702 232.9
[M+NH4]+ 486.19812 229.7
[M+K]+ 507.12746 218.5
[M+H-H2O]+ 451.16156 205.1
[M+HCOO]- 513.16250 244.4
[M+CH3COO]- 527.17815 228.6
[M+Na-2H]- 489.13897 220.5
[M]+ 468.16375 220.9
[M]- 468.16485 220.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe