CID 4523521

Allyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C=CCOC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H10ClNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H,12,13)
InChIKey
YKSPHLOQCHTZTC-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.04001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 143.2
[M+Na]+ 234.02923 151.5
[M-H]- 210.03273 146.9
[M+NH4]+ 229.07383 162.7
[M+K]+ 250.00317 147.6
[M+H-H2O]+ 194.03727 138.1
[M+HCOO]- 256.03821 163.9
[M+CH3COO]- 270.05386 185.9
[M+Na-2H]- 232.01468 148.8
[M]+ 211.03946 145.8
[M]- 211.04056 145.8
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