CID 3034915

10118-72-6

Structural Information

Molecular Formula
C7H9ClO4
SMILES
CC(=O)OC/C(=C/OC(=O)C)/Cl
InChI
InChI=1S/C7H9ClO4/c1-5(9)11-3-7(8)4-12-6(2)10/h3H,4H2,1-2H3/b7-3-
InChIKey
GEEGHNOKMUVQRF-CLTKARDFSA-N
Compound name
[(Z)-3-acetyloxy-2-chloroprop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01894 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02622 135.5
[M+Na]+ 215.00816 143.6
[M-H]- 191.01166 136.1
[M+NH4]+ 210.05276 156.0
[M+K]+ 230.98210 142.4
[M+H-H2O]+ 175.01620 132.1
[M+HCOO]- 237.01714 153.4
[M+CH3COO]- 251.03279 179.8
[M+Na-2H]- 212.99361 138.3
[M]+ 192.01839 140.7
[M]- 192.01949 140.7
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.