CID 17496

Ethyl 4-chlorophenylcarbamate

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CCOC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
WSKXXIMERYQVGJ-UHFFFAOYSA-N
Compound name
ethyl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

121
Patents

199.04001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.7
[M+Na]+ 222.02923 148.1
[M-H]- 198.03273 143.5
[M+NH4]+ 217.07383 159.8
[M+K]+ 238.00317 145.0
[M+H-H2O]+ 182.03727 134.7
[M+HCOO]- 244.03821 160.5
[M+CH3COO]- 258.05386 183.8
[M+Na-2H]- 220.01468 145.8
[M]+ 199.03946 142.7
[M]- 199.04056 142.7
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