CID 65578

Oxalyl chloride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C2Cl2O2/c3-1(5)2(4)6

InChIKey

CTSLXHKWHWQRSH-UHFFFAOYSA-N

Compound name

oxalyl dichloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 125
References: 9592
Patents: 125.927536 Da
Monoisotopic Mass: 1.7
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]+	126.93481	115.1
[M+Na]+	148.91675	127.2
[M+NH4]+	143.96136	123.5
[M+K]+	164.89069	122.3
[M-H]-	124.92026	113.9
[M+Na-2H]-	146.90220	119.7
[M]+	125.92699	116.8
[M]-	125.92808	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe