CID 6393295

Nsc672039

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CC1=CC=C(C=C1)NC(=O)O/N=C(/C)\Cl
InChI
InChI=1S/C10H11ClN2O2/c1-7-3-5-9(6-4-7)12-10(14)15-13-8(2)11/h3-6H,1-2H3,(H,12,14)/b13-8-
InChIKey
NRJKJMFPUGFIKJ-JYRVWZFOSA-N
Compound name
[(Z)-1-chloroethylideneamino] N-(4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0509 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.058176 148.0
[M+Na]+ 249.040118 155.6
[M-H]- 225.043624 153.2
[M+NH4]+ 244.084723 167.3
[M+K]+ 265.014058 153.1
[M+H-H2O]+ 209.048160 142.2
[M+HCOO]- 271.049101 170.2
[M+CH3COO]- 285.064751 193.7
[M+Na-2H]- 247.025566 153.0
[M]+ 226.05035142 151.1
[M]- 226.05144858 151.1
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.