CID 165713683

2-fluoro-1-[2-(trifluoromethyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H8F4O
SMILES
C1=CC=C(C(=C1)C(CF)O)C(F)(F)F
InChI
InChI=1S/C9H8F4O/c10-5-8(14)6-3-1-2-4-7(6)9(11,12)13/h1-4,8,14H,5H2
InChIKey
DDTMFWDUKVYQEW-UHFFFAOYSA-N
Compound name
2-fluoro-1-[2-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05113 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058406 138.3
[M+Na]+ 231.040348 146.7
[M-H]- 207.043854 135.7
[M+NH4]+ 226.084953 156.6
[M+K]+ 247.014288 143.6
[M+H-H2O]+ 191.048390 129.9
[M+HCOO]- 253.049331 154.8
[M+CH3COO]- 267.064981 183.5
[M+Na-2H]- 229.025796 142.4
[M]+ 208.05058142 132.1
[M]- 208.05167858 132.1
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.