CID 137952386

(1r,2r)-2-(trifluoromethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1C[C@H]([C@@H]1C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H7F3O2/c7-6(8,9)4-2-1-3(4)5(10)11/h3-4H,1-2H2,(H,10,11)/t3-,4-/m1/s1
InChIKey
SDOPWTZUKAGTRM-QWWZWVQMSA-N
Compound name
(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03981 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 146.0
[M+Na]+ 191.02903 148.7
[M+NH4]+ 186.07363 147.3
[M+K]+ 207.00297 146.7
[M-H]- 167.03253 138.7
[M+Na-2H]- 189.01448 144.4
[M]+ 168.03926 142.7
[M]- 168.04036 142.7
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.