CID 9589111

O-carbamoylacethydroximoyl chloride

Structural Information

Molecular Formula
C3H5ClN2O2
SMILES
C/C(=N/OC(=O)N)/Cl
InChI
InChI=1S/C3H5ClN2O2/c1-2(4)6-8-3(5)7/h1H3,(H2,5,7)/b6-2-
InChIKey
FQBOTPCIUBJMRB-KXFIGUGUSA-N
Compound name
[(Z)-1-chloroethylideneamino] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.00395 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.01123 123.4
[M+Na]+ 158.99317 131.6
[M-H]- 134.99667 125.1
[M+NH4]+ 154.03777 145.8
[M+K]+ 174.96711 131.0
[M+H-H2O]+ 119.00121 119.5
[M+HCOO]- 181.00215 145.6
[M+CH3COO]- 195.01780 176.1
[M+Na-2H]- 156.97862 128.9
[M]+ 136.00340 124.7
[M]- 136.00450 124.7
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.