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]+ 227.05818 148.0
[M+Na]+ 249.04012 155.6
[M-H]- 225.04362 153.2
[M+NH4]+ 244.08472 167.3
[M+K]+ 265.01406 153.1
[M+H-H2O]+ 209.04816 142.2
[M+HCOO]- 271.04910 170.2
[M+CH3COO]- 285.06475 193.7
[M+Na-2H]- 247.02557 153.0
[M]+ 226.05035 151.1
[M]- 226.05145 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.