CID 16712

Isopropyl n-4-chlorophenylcarbamate

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC(C)OC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKey
BSMJHJAWPFPTKW-UHFFFAOYSA-N
Compound name
propan-2-yl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

32
Patents

213.05565 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 144.2
[M+Na]+ 236.04487 156.3
[M+NH4]+ 231.08947 152.4
[M+K]+ 252.01881 150.3
[M-H]- 212.04837 146.2
[M+Na-2H]- 234.03032 150.5
[M]+ 213.05510 146.6
[M]- 213.05620 146.6
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