CID 147646

36437-19-1

Structural Information

Molecular Formula

SMILES

C(=O)C(C=O)Cl

InChI

InChI=1S/C3H3ClO2/c4-3(1-5)2-6/h1-3H

InChIKey

KTRZQCIGJUWSGE-UHFFFAOYSA-N

Compound name

2-chloropropanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 567
Patents: 105.982155 Da
Monoisotopic Mass: 0.1
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]+	106.98943	112.9
[M+Na]+	128.97137	122.6
[M-H]-	104.97488	113.8
[M+NH4]+	124.01598	136.8
[M+K]+	144.94531	121.2
[M+H-H2O]+	88.979415	110.2
[M+HCOO]-	150.98036	133.2
[M+CH3COO]-	164.99601	165.0
[M+Na-2H]-	126.95682	120.2
[M]+	105.98161	115.7
[M]-	105.98270	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe