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]+ 314.94985 155.0
[M+Na]+ 336.93179 162.9
[M-H]- 312.93529 157.1
[M+NH4]+ 331.97639 171.5
[M+K]+ 352.90573 155.9
[M+H-H2O]+ 296.93983 147.4
[M+HCOO]- 358.94077 163.4
[M+CH3COO]- 372.95642 200.4
[M+Na-2H]- 334.91724 153.6
[M]+ 313.94202 160.7
[M]- 313.94312 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.