CID 4401496

Cyclohexyl 4'-chlorocarbanilate

Structural Information

Molecular Formula

C₁₃H₁₆ClNO₂

SMILES

C1CCC(CC1)OC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClNO2/c14-10-6-8-11(9-7-10)15-13(16)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,15,16)

InChIKey

YESPGXMCWHRUJO-UHFFFAOYSA-N

Compound name

cyclohexyl N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.08696 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.094236	156.1
[M+Na]+	276.076178	161.0
[M-H]-	252.079684	161.8
[M+NH4]+	271.120783	173.3
[M+K]+	292.050118	157.0
[M+H-H2O]+	236.084220	149.5
[M+HCOO]-	298.085161	172.7
[M+CH3COO]-	312.100811	192.6
[M+Na-2H]-	274.061626	159.7
[M]+	253.08641142	153.8
[M]-	253.08750858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.