CID 103079

65045-86-5

Structural Information

Molecular Formula
C34H55O4PS2
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCSP(=O)(O)SCCOC2=CC=C(C=C2)CCCCCCCCC
InChI
InChI=1S/C34H55O4PS2/c1-3-5-7-9-11-13-15-17-31-19-23-33(24-20-31)37-27-29-40-39(35,36)41-30-28-38-34-25-21-32(22-26-34)18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-30H2,1-2H3,(H,35,36)
InChIKey
NHVGMEYOWUEZRF-UHFFFAOYSA-N
Compound name
bis[2-(4-nonylphenoxy)ethylsulfanyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.32794 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.33522 252.1
[M+Na]+ 645.31716 249.9
[M-H]- 621.32066 251.7
[M+NH4]+ 640.36176 254.2
[M+K]+ 661.29110 241.0
[M+H-H2O]+ 605.32520 238.2
[M+HCOO]- 667.32614 263.0
[M+CH3COO]- 681.34179 261.3
[M+Na-2H]- 643.30261 243.3
[M]+ 622.32739 264.0
[M]- 622.32849 264.0
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

No patent data available for this compound.