CID 83262

Cyclohexyl chloroformate

Structural Information

Molecular Formula

C₇H₁₁ClO₂

SMILES

C1CCC(CC1)OC(=O)Cl

InChI

InChI=1S/C7H11ClO2/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

IWVJLGPDBXCTDA-UHFFFAOYSA-N

Compound name

cyclohexyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1247
Patents: 162.04475 Da
Monoisotopic Mass: 3.0
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]+	163.052026	131.8
[M+Na]+	185.033968	137.8
[M-H]-	161.037474	134.6
[M+NH4]+	180.078573	153.0
[M+K]+	201.007908	135.9
[M+H-H2O]+	145.042010	127.4
[M+HCOO]-	207.042951	147.8
[M+CH3COO]-	221.058601	173.6
[M+Na-2H]-	183.019416	136.4
[M]+	162.04420142	130.0
[M]-	162.04529858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe