CID 55138

Fosmethilan

Structural Information

Molecular Formula
C13H19ClNO3PS2
SMILES
CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl
InChI
InChI=1S/C13H19ClNO3PS2/c1-4-7-13(16)15(10-21-19(20,17-2)18-3)12-9-6-5-8-11(12)14/h5-6,8-9H,4,7,10H2,1-3H3
InChIKey
MVBGKYGTNGPFHT-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-N-(dimethoxyphosphinothioylsulfanylmethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9867
Patents

367.02325 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03053 174.2
[M+Na]+ 390.01247 179.9
[M-H]- 366.01597 177.7
[M+NH4]+ 385.05707 189.1
[M+K]+ 405.98641 175.4
[M+H-H2O]+ 350.02051 165.6
[M+HCOO]- 412.02145 187.7
[M+CH3COO]- 426.03710 216.0
[M+Na-2H]- 387.99792 171.6
[M]+ 367.02270 183.4
[M]- 367.02380 183.4
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.