CID 116442

Geigy g-35161

Structural Information

Molecular Formula
C9H12ClO2PS3
SMILES
COP(=S)(OC)SCSC1=CC=CC=C1Cl
InChI
InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3
InChIKey
VBEFFJACEISDRO-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.94257 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.949846 155.0
[M+Na]+ 336.931788 162.9
[M-H]- 312.935294 157.1
[M+NH4]+ 331.976393 171.5
[M+K]+ 352.905728 155.9
[M+H-H2O]+ 296.939830 147.4
[M+HCOO]- 358.940771 163.4
[M+CH3COO]- 372.956421 200.4
[M+Na-2H]- 334.917236 153.6
[M]+ 313.94202142 160.7
[M]- 313.94311858 160.7
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

No patent data available for this compound.