CID 6335874

Phosphonic acid, bis(nonylphenyl) ester

Structural Information

Molecular Formula
C30H46O3P
SMILES
CCCCCCCCCC1=CC=C(C=C1)O[P+](=O)OC2=CC=C(C=C2)CCCCCCCCC
InChI
InChI=1S/C30H46O3P/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-34(31)33-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26H,3-18H2,1-2H3/q+1
InChIKey
VUDFMCAHIGWOMF-UHFFFAOYSA-N
Compound name
bis(4-nonylphenoxy)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

465
Patents

485.31845 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.32573 238.0
[M+Na]+ 508.30767 238.1
[M-H]- 484.31117 240.7
[M+NH4]+ 503.35227 245.3
[M+K]+ 524.28161 226.6
[M+H-H2O]+ 468.31571 227.2
[M+HCOO]- 530.31665 260.9
[M+CH3COO]- 544.33230 237.8
[M+Na-2H]- 506.29312 232.6
[M]+ 485.31790 245.9
[M]- 485.31900 245.9
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