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

5
Annotation Hits: 247
References: 13444
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	106.8
[M+Na]+	100.97646	116.5
[M-H]-	76.979964	107.8
[M+NH4]+	96.021063	131.9
[M+K]+	116.95040	115.6
[M+H-H2O]+	60.984500	104.4
[M+HCOO]-	122.98544	126.9
[M+CH3COO]-	137.00109	161.0
[M+Na-2H]-	98.961906	114.6
[M]+	77.986691	108.4
[M]-	77.987789	108.4

Literature stripe

literature stripe

Patent stripe

patents stripe