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

6618
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

literature stripe

Patent stripe

patents stripe