CID 12466591

7379-14-8

Structural Information

Molecular Formula

SMILES

C1CC1C(=O)CCl

InChI

InChI=1S/C5H7ClO/c6-3-5(7)4-1-2-4/h4H,1-3H2

InChIKey

ZXWAHROJUXWVCU-UHFFFAOYSA-N

Compound name

2-chloro-1-cyclopropylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 118.01854 Da
Monoisotopic Mass: 1.0
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]+	119.02582	119.1
[M+Na]+	141.00776	132.3
[M+NH4]+	136.05236	128.9
[M+K]+	156.98170	127.9
[M-H]-	117.01126	127.0
[M+Na-2H]-	138.99321	127.6
[M]+	118.01799	124.4
[M]-	118.01909	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe