CID 96581652

2307752-00-5

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1C[C@H]([C@@H]1C(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O2/c7-5(8)3-1-2-4(3)6(9)10/h3-5H,1-2H2,(H,9,10)/t3-,4-/m1/s1
InChIKey
CTNBXQCALVHSKS-QWWZWVQMSA-N
Compound name
(1R,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

150.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 128.3
[M+Na]+ 173.03846 134.0
[M-H]- 149.04196 128.0
[M+NH4]+ 168.08306 142.1
[M+K]+ 189.01240 136.2
[M+H-H2O]+ 133.04650 116.9
[M+HCOO]- 195.04744 145.4
[M+CH3COO]- 209.06309 177.4
[M+Na-2H]- 171.02391 130.0
[M]+ 150.04869 132.2
[M]- 150.04979 132.2
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