CID 6367

Acetyl chloride

Structural Information

Molecular Formula

SMILES

CC(=O)Cl

InChI

InChI=1S/C2H3ClO/c1-2(3)4/h1H3

InChIKey

WETWJCDKMRHUPV-UHFFFAOYSA-N

Compound name

acetyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 247
References: 10224
Patents: 77.98724 Da
Monoisotopic Mass: 0.8
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]+	78.994516	107.2
[M+Na]+	100.97646	119.7
[M+NH4]+	96.021063	116.6
[M+K]+	116.95040	114.2
[M-H]-	76.979964	107.2
[M+Na-2H]-	98.961906	112.8
[M]+	77.986691	109.2
[M]-	77.987789	109.2

Literature stripe

literature stripe

Patent stripe

patents stripe