CID 96623

Methoxyacetyl chloride

Structural Information

Molecular Formula
C3H5ClO2
SMILES
COCC(=O)Cl
InChI
InChI=1S/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3
InChIKey
JJKWHOSQTYYFAE-UHFFFAOYSA-N
Compound name
2-methoxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11398
Patents

107.99781 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.00509 114.4
[M+Na]+ 130.98703 123.7
[M-H]- 106.99053 115.2
[M+NH4]+ 126.03163 138.3
[M+K]+ 146.96097 122.9
[M+H-H2O]+ 90.995070 111.6
[M+HCOO]- 152.99601 134.4
[M+CH3COO]- 167.01166 165.9
[M+Na-2H]- 128.97248 121.6
[M]+ 107.99726 117.9
[M]- 107.99836 117.9
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