CID 518079

Cyclohexyl 3'-chlorocarbanilate

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
C1CCC(CC1)OC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H16ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
InChIKey
ILBAXXVDXITICM-UHFFFAOYSA-N
Compound name
cyclohexyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

253.08696 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 155.8
[M+Na]+ 276.07618 167.9
[M+NH4]+ 271.12078 164.7
[M+K]+ 292.05012 160.4
[M-H]- 252.07968 160.2
[M+Na-2H]- 274.06163 163.3
[M]+ 253.08641 158.9
[M]- 253.08751 158.9
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

No patent data available for this compound.