CID 91687

Anilofos

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

21
References

33892
Patents

367.02325 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03053 173.3
[M+Na]+ 390.01247 178.7
[M-H]- 366.01597 176.9
[M+NH4]+ 385.05707 188.1
[M+K]+ 405.98641 174.8
[M+H-H2O]+ 350.02051 164.9
[M+HCOO]- 412.02145 185.8
[M+CH3COO]- 426.03710 216.8
[M+Na-2H]- 387.99792 170.0
[M]+ 367.02270 182.1
[M]- 367.02380 182.1
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.