CID 25843

Aminofenitrothion

Structural Information

Molecular Formula
C9H14NO3PS
SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)N
InChI
InChI=1S/C9H14NO3PS/c1-7-6-8(4-5-9(7)10)13-14(15,11-2)12-3/h4-6H,10H2,1-3H3
InChIKey
MBJWTIDJKMSHDR-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

9
Patents

247.0432 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05048 151.3
[M+Na]+ 270.03242 159.2
[M-H]- 246.03592 153.8
[M+NH4]+ 265.07702 169.5
[M+K]+ 286.00636 157.1
[M+H-H2O]+ 230.04046 142.7
[M+HCOO]- 292.04140 175.5
[M+CH3COO]- 306.05705 194.3
[M+Na-2H]- 268.01787 151.6
[M]+ 247.04265 156.4
[M]- 247.04375 156.4
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.