CID 242200

4-chlorobutanal

Structural Information

Molecular Formula

SMILES

C(CC=O)CCl

InChI

InChI=1S/C4H7ClO/c5-3-1-2-4-6/h4H,1-3H2

InChIKey

DOQLCJMCQWQQHK-UHFFFAOYSA-N

Compound name

4-chlorobutanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1475
Patents: 106.01854 Da
Monoisotopic Mass: 0.6
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]+	107.02582	115.8
[M+Na]+	129.00776	128.1
[M+NH4]+	124.05236	125.0
[M+K]+	144.98170	121.4
[M-H]-	105.01126	115.8
[M+Na-2H]-	126.99321	121.2
[M]+	106.01799	117.7
[M]-	106.01909	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe