CID 6506394

Phoxim-methyl

Structural Information

Molecular Formula
C10H11N2O3PS
SMILES
COP(=S)(OC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-12-10(8-11)9-6-4-3-5-7-9/h3-7H,1-2H3/b12-10-
InChIKey
QQVNWNVUGXNUJN-BENRWUELSA-N
Compound name
(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3361
Patents

270.0228 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03008 157.4
[M+Na]+ 293.01202 165.9
[M-H]- 269.01552 161.1
[M+NH4]+ 288.05662 173.2
[M+K]+ 308.98596 164.5
[M+H-H2O]+ 253.02006 142.1
[M+HCOO]- 315.02100 178.8
[M+CH3COO]- 329.03665 209.0
[M+Na-2H]- 290.99747 159.1
[M]+ 270.02225 157.9
[M]- 270.02335 157.9
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