CID 65578

Oxalyl chloride

Structural Information

Molecular Formula
C2Cl2O2
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
5
Annotation Hits

125
References

13813
Patents

125.927536 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.934812 113.2
[M+Na]+ 148.916754 123.4
[M-H]- 124.920260 113.8
[M+NH4]+ 143.961359 136.5
[M+K]+ 164.890694 120.9
[M+H-H2O]+ 108.924796 111.7
[M+HCOO]- 170.925737 127.8
[M+CH3COO]- 184.941387 167.9
[M+Na-2H]- 146.902202 119.2
[M]+ 125.92698742 115.9
[M]- 125.92808458 115.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe