CID 137952372

2173999-13-6

Structural Information

Molecular Formula
C7H11F3O
SMILES
C1C[C@H]([C@@H](C1)C(F)(F)F)CO
InChI
InChI=1S/C7H11F3O/c8-7(9,10)6-3-1-2-5(6)4-11/h5-6,11H,1-4H2/t5-,6+/m0/s1
InChIKey
HRAPXOYQCITXRS-NTSWFWBYSA-N
Compound name
[(1R,2R)-2-(trifluoromethyl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0762 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08348 141.5
[M+Na]+ 191.06542 147.8
[M+NH4]+ 186.11002 147.3
[M+K]+ 207.03936 144.8
[M-H]- 167.06892 137.3
[M+Na-2H]- 189.05087 142.7
[M]+ 168.07565 140.7
[M]- 168.07675 140.7
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.