CID 55252699

1262415-48-4

Structural Information

Molecular Formula
C7H9FO4
SMILES
CCOC(=O)C1(CC1C(=O)O)F
InChI
InChI=1S/C7H9FO4/c1-2-12-6(11)7(8)3-4(7)5(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
FWTIOEBBWWWCKT-UHFFFAOYSA-N
Compound name
2-ethoxycarbonyl-2-fluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.0485 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05578 132.5
[M+Na]+ 199.03772 142.5
[M-H]- 175.04122 135.2
[M+NH4]+ 194.08232 149.2
[M+K]+ 215.01166 141.3
[M+H-H2O]+ 159.04576 127.8
[M+HCOO]- 221.04670 152.7
[M+CH3COO]- 235.06235 180.1
[M+Na-2H]- 197.02317 136.9
[M]+ 176.04795 136.4
[M]- 176.04905 136.4
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.