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 156.1
[M+Na]+ 276.07618 161.0
[M-H]- 252.07968 161.8
[M+NH4]+ 271.12078 173.3
[M+K]+ 292.05012 157.0
[M+H-H2O]+ 236.08422 149.5
[M+HCOO]- 298.08516 172.7
[M+CH3COO]- 312.10081 192.6
[M+Na-2H]- 274.06163 159.7
[M]+ 253.08641 153.8
[M]- 253.08751 153.8
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

No patent data available for this compound.