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

8
Patents

208.05113 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05841 137.7
[M+Na]+ 231.04035 147.0
[M-H]- 207.04385 135.4
[M+NH4]+ 226.08495 156.3
[M+K]+ 247.01429 143.9
[M+H-H2O]+ 191.04839 129.6
[M+HCOO]- 253.04933 154.1
[M+CH3COO]- 267.06498 184.7
[M+Na-2H]- 229.02580 141.1
[M]+ 208.05058 131.8
[M]- 208.05168 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