CID 3053970

N-formylaminofenitrothion

Structural Information

Molecular Formula
C10H14NO4PS
SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)NC=O
InChI
InChI=1S/C10H14NO4PS/c1-8-6-9(4-5-10(8)11-7-12)15-16(17,13-2)14-3/h4-7H,1-3H3,(H,11,12)
InChIKey
FPTMHUFUDLSQJC-UHFFFAOYSA-N
Compound name
N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

275.03812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04540 156.8
[M+Na]+ 298.02734 164.4
[M-H]- 274.03084 159.7
[M+NH4]+ 293.07194 173.9
[M+K]+ 314.00128 162.4
[M+H-H2O]+ 258.03538 147.9
[M+HCOO]- 320.03632 181.9
[M+CH3COO]- 334.05197 199.1
[M+Na-2H]- 296.01279 158.1
[M]+ 275.03757 164.0
[M]- 275.03867 164.0
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

No patent data available for this compound.