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

13719
Patents

125.927536 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.93481 113.2
[M+Na]+ 148.91675 123.4
[M-H]- 124.92026 113.8
[M+NH4]+ 143.96136 136.5
[M+K]+ 164.89069 120.9
[M+H-H2O]+ 108.92480 111.7
[M+HCOO]- 170.92574 127.8
[M+CH3COO]- 184.94139 167.9
[M+Na-2H]- 146.90220 119.2
[M]+ 125.92699 115.9
[M]- 125.92808 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.