CID 32792

Phosphorodithioic acid, o,o-diisodecyl ester

Structural Information

Molecular Formula
C20H43O2PS2
SMILES
CC(C)CCCCCCCOP(=S)(OCCCCCCCC(C)C)S
InChI
InChI=1S/C20H43O2PS2/c1-19(2)15-11-7-5-9-13-17-21-23(24,25)22-18-14-10-6-8-12-16-20(3)4/h19-20H,5-18H2,1-4H3,(H,24,25)
InChIKey
KURZBXWWTUWWGB-UHFFFAOYSA-N
Compound name
bis(8-methylnonoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

112
Patents

410.2442 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25148 202.8
[M+Na]+ 433.23342 203.0
[M-H]- 409.23692 199.2
[M+NH4]+ 428.27802 214.8
[M+K]+ 449.20736 198.2
[M+H-H2O]+ 393.24146 192.6
[M+HCOO]- 455.24240 213.8
[M+CH3COO]- 469.25805 228.5
[M+Na-2H]- 431.21887 193.6
[M]+ 410.24365 213.3
[M]- 410.24475 213.3
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