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
4
Annotation Hits

21
References

27506
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 177.7
[M+Na]+ 390.01247 186.1
[M+NH4]+ 385.05707 184.3
[M+K]+ 405.98641 178.2
[M-H]- 366.01597 178.2
[M+Na-2H]- 387.99792 180.8
[M]+ 367.02270 180.1
[M]- 367.02380 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe