CID 7376

3-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=CC(=CC(=C1)O)C(F)(F)F
InChI
InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKey
UGEJOEBBMPOJMT-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

7088
Patents

162.02925 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03653 126.1
[M+Na]+ 185.01847 135.5
[M-H]- 161.02197 125.1
[M+NH4]+ 180.06307 146.4
[M+K]+ 200.99241 132.9
[M+H-H2O]+ 145.02651 119.0
[M+HCOO]- 207.02745 145.3
[M+CH3COO]- 221.04310 173.7
[M+Na-2H]- 183.00392 133.1
[M]+ 162.02870 121.0
[M]- 162.02980 121.0
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.