CID 45080708

130158-23-5

Structural Information

Molecular Formula

SMILES

CC1CC1C(=O)CCl

InChI

InChI=1S/C6H9ClO/c1-4-2-5(4)6(8)3-7/h4-5H,2-3H2,1H3

InChIKey

HVRRRVQDZJXREN-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-methylcyclopropyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 132.0342 Da
Monoisotopic Mass: 1.5
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]+	133.041476	122.4
[M+Na]+	155.023418	133.0
[M-H]-	131.026924	127.3
[M+NH4]+	150.068023	140.6
[M+K]+	170.997358	129.9
[M+H-H2O]+	115.031460	118.0
[M+HCOO]-	177.032401	141.6
[M+CH3COO]-	191.048051	176.2
[M+Na-2H]-	153.008866	127.9
[M]+	132.03365142	126.9
[M]-	132.03474858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe