CID 14800978

133217-71-7

Structural Information

Molecular Formula
C4H5ClO4
SMILES
CC(=O)OCOC(=O)Cl
InChI
InChI=1S/C4H5ClO4/c1-3(6)8-2-9-4(5)7/h2H2,1H3
InChIKey
MULZXZRAWSJCCF-UHFFFAOYSA-N
Compound name
carbonochloridoyloxymethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

151.98764 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99492 122.9
[M+Na]+ 174.97686 132.0
[M-H]- 150.98036 123.8
[M+NH4]+ 170.02146 145.0
[M+K]+ 190.95080 131.7
[M+H-H2O]+ 134.98490 119.7
[M+HCOO]- 196.98584 142.4
[M+CH3COO]- 211.00149 171.5
[M+Na-2H]- 172.96231 128.5
[M]+ 151.98709 128.3
[M]- 151.98819 128.3
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

patents stripe