CID 36612

Amiprophos

Structural Information

Molecular Formula
C12H19N2O4PS
SMILES
CCOP(=S)(NC(C)C)OC1=C(C=C(C=C1)C)[N+](=O)[O-]
InChI
InChI=1S/C12H19N2O4PS/c1-5-17-19(20,13-9(2)3)18-12-7-6-10(4)8-11(12)14(15)16/h6-9H,5H2,1-4H3,(H,13,20)
InChIKey
BFFLCMLOXQNHJA-UHFFFAOYSA-N
Compound name
N-[ethoxy-(4-methyl-2-nitrophenoxy)phosphinothioyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1625
Patents

318.08032 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08760 167.1
[M+Na]+ 341.06954 171.8
[M-H]- 317.07304 169.7
[M+NH4]+ 336.11414 181.5
[M+K]+ 357.04348 165.6
[M+H-H2O]+ 301.07758 162.4
[M+HCOO]- 363.07852 190.9
[M+CH3COO]- 377.09417 203.4
[M+Na-2H]- 339.05499 169.2
[M]+ 318.07977 170.3
[M]- 318.08087 170.3
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