CID 59762669

(r)-an-phanephos

Structural Information

Molecular Formula
C44H42O4P2
SMILES
COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI
InChI=1S/C44H42O4P2/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3
InChIKey
JALREJYREHTOKW-UHFFFAOYSA-N
Compound name
[11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

696.25586 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.26314 243.7
[M+Na]+ 719.24508 258.4
[M+NH4]+ 714.28968 250.1
[M+K]+ 735.21902 246.3
[M-H]- 695.24858 247.6
[M+Na-2H]- 717.23053 243.8
[M]+ 696.25531 246.7
[M]- 696.25641 246.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe