CID 26928

Chlorphoxim

Structural Information

Molecular Formula
C12H14ClN2O3PS
SMILES
CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1Cl
InChI
InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3
InChIKey
GQKRUMZWUHSLJF-UHFFFAOYSA-N
Compound name
2-chloro-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

5001
Patents

332.01514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.02242 168.8
[M+Na]+ 355.00436 178.2
[M-H]- 331.00786 172.9
[M+NH4]+ 350.04896 183.7
[M+K]+ 370.97830 174.7
[M+H-H2O]+ 315.01240 154.6
[M+HCOO]- 377.01334 185.8
[M+CH3COO]- 391.02899 218.6
[M+Na-2H]- 352.98981 169.1
[M]+ 332.01459 172.3
[M]- 332.01569 172.3
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