CID 521791

2-oxopropanoyl chloride

Structural Information

Molecular Formula
C3H3ClO2
SMILES
CC(=O)C(=O)Cl
InChI
InChI=1S/C3H3ClO2/c1-2(5)3(4)6/h1H3
InChIKey
AUUTXOKCFQTKPL-UHFFFAOYSA-N
Compound name
2-oxopropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2445
Patents

105.982155 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.98943 112.7
[M+Na]+ 128.97137 122.1
[M-H]- 104.97488 113.7
[M+NH4]+ 124.01598 136.5
[M+K]+ 144.94531 121.1
[M+H-H2O]+ 88.979415 110.1
[M+HCOO]- 150.98036 131.9
[M+CH3COO]- 164.99601 165.8
[M+Na-2H]- 126.95682 118.8
[M]+ 105.98161 114.9
[M]- 105.98270 114.9
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