CID 99718608

1808406-93-0

Structural Information

Molecular Formula
C13H14F4O2
SMILES
C1C[C@H]([C@@H](OC1)C2=CC(=C(C=C2)F)C(F)(F)F)CO
InChI
InChI=1S/C13H14F4O2/c14-11-4-3-8(6-10(11)13(15,16)17)12-9(7-18)2-1-5-19-12/h3-4,6,9,12,18H,1-2,5,7H2/t9-,12-/m0/s1
InChIKey
RGUIJYBLICISDK-CABZTGNLSA-N
Compound name
[(2R,3S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]oxan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.093 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10028 159.2
[M+Na]+ 301.08222 166.4
[M-H]- 277.08572 159.7
[M+NH4]+ 296.12682 173.3
[M+K]+ 317.05616 163.2
[M+H-H2O]+ 261.09026 149.3
[M+HCOO]- 323.09120 171.7
[M+CH3COO]- 337.10685 195.8
[M+Na-2H]- 299.06767 161.4
[M]+ 278.09245 151.2
[M]- 278.09355 151.2
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

No patent data available for this compound.