CID 26297

Acetoxyacetyl chloride

Structural Information

Molecular Formula
C4H5ClO3
SMILES
CC(=O)OCC(=O)Cl
InChI
InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
InChIKey
HZDNNJABYXNPPV-UHFFFAOYSA-N
Compound name
(2-chloro-2-oxoethyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6997
Patents

135.99272 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.00000 120.3
[M+Na]+ 158.98194 129.4
[M-H]- 134.98544 121.2
[M+NH4]+ 154.02654 143.0
[M+K]+ 174.95588 128.6
[M+H-H2O]+ 118.98998 117.3
[M+HCOO]- 180.99092 139.5
[M+CH3COO]- 195.00657 170.2
[M+Na-2H]- 156.96739 125.8
[M]+ 135.99217 124.3
[M]- 135.99327 124.3
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