CID 67132432

3,3-difluoro-1-hydroxycyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H6F2O3
SMILES
C1C(CC1(F)F)(C(=O)O)O
InChI
InChI=1S/C5H6F2O3/c6-5(7)1-4(10,2-5)3(8)9/h10H,1-2H2,(H,8,9)
InChIKey
NYIZTUJIWYBWHZ-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

152.0285 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03578 128.3
[M+Na]+ 175.01772 135.9
[M-H]- 151.02122 127.7
[M+NH4]+ 170.06232 145.4
[M+K]+ 190.99166 137.6
[M+H-H2O]+ 135.02576 120.1
[M+HCOO]- 197.02670 145.4
[M+CH3COO]- 211.04235 172.5
[M+Na-2H]- 173.00317 133.6
[M]+ 152.02795 132.9
[M]- 152.02905 132.9
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