CID 24721069

1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H8F4O
SMILES
CC(C1=CC(=C(C=C1)F)C(F)(F)F)O
InChI
InChI=1S/C9H8F4O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5,14H,1H3
InChIKey
VVMUNUHSORCOAL-UHFFFAOYSA-N
Compound name
1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

208.05113 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058406 137.7
[M+Na]+ 231.040348 147.0
[M-H]- 207.043854 135.4
[M+NH4]+ 226.084953 156.3
[M+K]+ 247.014288 143.9
[M+H-H2O]+ 191.048390 129.6
[M+HCOO]- 253.049331 154.1
[M+CH3COO]- 267.064981 184.7
[M+Na-2H]- 229.025796 141.1
[M]+ 208.05058142 131.8
[M]- 208.05167858 131.8
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

patents stripe