CID 71482

Azamethiphos

Structural Information

Molecular Formula
C9H10ClN2O5PS
SMILES
COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O
InChI
InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
InChIKey
VNKBTWQZTQIWDV-UHFFFAOYSA-N
Compound name
6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

81
References

20145
Patents

323.97366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.98094 161.6
[M+Na]+ 346.96288 174.2
[M-H]- 322.96638 165.0
[M+NH4]+ 342.00748 177.3
[M+K]+ 362.93682 172.4
[M+H-H2O]+ 306.97092 153.8
[M+HCOO]- 368.97186 180.4
[M+CH3COO]- 382.98751 200.9
[M+Na-2H]- 344.94833 164.5
[M]+ 323.97311 175.0
[M]- 323.97421 175.0
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

patents stripe