CID 135393335

3,3-difluoro-1-(methoxycarbonyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H8F2O4
SMILES
COC(=O)C1(CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O4/c1-13-5(12)6(4(10)11)2-7(8,9)3-6/h2-3H2,1H3,(H,10,11)
InChIKey
AFCJTHIVWPAUMK-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-methoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03906 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04634 138.3
[M+Na]+ 217.02828 145.4
[M-H]- 193.03178 138.7
[M+NH4]+ 212.07288 154.2
[M+K]+ 233.00222 148.0
[M+H-H2O]+ 177.03632 129.6
[M+HCOO]- 239.03726 155.6
[M+CH3COO]- 253.05291 182.2
[M+Na-2H]- 215.01373 142.0
[M]+ 194.03851 145.5
[M]- 194.03961 145.5
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.