CID 97633

Cetyl chloroformate

Structural Information

Molecular Formula

C₁₇H₃₃ClO₂

SMILES

CCCCCCCCCCCCCCCCOC(=O)Cl

InChI

InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3

InChIKey

HOQUWXSARQBQCW-UHFFFAOYSA-N

Compound name

hexadecyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 387
Patents: 304.21692 Da
Monoisotopic Mass: 8.8
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]+	305.22420	177.2
[M+Na]+	327.20614	186.1
[M+NH4]+	322.25074	183.5
[M+K]+	343.18008	177.5
[M-H]-	303.20964	175.9
[M+Na-2H]-	325.19159	178.3
[M]+	304.21637	178.2
[M]-	304.21747	178.2

Literature stripe

literature stripe

Patent stripe

patents stripe