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]+ 209.05841 138.3
[M+Na]+ 231.04035 146.7
[M-H]- 207.04385 135.7
[M+NH4]+ 226.08495 156.6
[M+K]+ 247.01429 143.6
[M+H-H2O]+ 191.04839 129.9
[M+HCOO]- 253.04933 154.8
[M+CH3COO]- 267.06498 183.5
[M+Na-2H]- 229.02580 142.4
[M]+ 208.05058 132.1
[M]- 208.05168 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.