CID 22211

3-phenylcarbazic acid 2-chloroethyl ester

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
C1=CC=C(C=C1)NNC(=O)OCCCl
InChI
InChI=1S/C9H11ClN2O2/c10-6-7-14-9(13)12-11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKey
USNITRHKQFTWEY-UHFFFAOYSA-N
Compound name
2-chloroethyl N-anilinocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0509 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 144.1
[M+Na]+ 237.04012 155.1
[M+NH4]+ 232.08472 152.0
[M+K]+ 253.01406 148.7
[M-H]- 213.04362 146.5
[M+Na-2H]- 235.02557 150.9
[M]+ 214.05035 146.4
[M]- 214.05145 146.4
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.