CID 32739

Chlormephos

Structural Information

Molecular Formula
C5H12ClO2PS2
SMILES
CCOP(=S)(OCC)SCCl
InChI
InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
InChIKey
QGTYWWGEWOBMAK-UHFFFAOYSA-N
Compound name
chloromethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2
References

22987
Patents

233.97049 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97777 141.1
[M+Na]+ 256.95971 148.9
[M-H]- 232.96321 140.8
[M+NH4]+ 252.00431 161.2
[M+K]+ 272.93365 145.0
[M+H-H2O]+ 216.96775 134.8
[M+HCOO]- 278.96869 154.6
[M+CH3COO]- 292.98434 187.1
[M+Na-2H]- 254.94516 140.2
[M]+ 233.96994 148.8
[M]- 233.97104 148.8
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.