CID 518675

4-fluoro-2-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H4F4O
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)O
InChI
InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKey
RNOVGJWJVRESAA-UHFFFAOYSA-N
Compound name
4-fluoro-2-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1105
Patents

180.01982 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02710 142.5
[M+Na]+ 203.00904 151.1
[M+NH4]+ 198.05364 147.6
[M+K]+ 218.98298 146.2
[M-H]- 179.01254 138.2
[M+Na-2H]- 200.99449 145.9
[M]+ 180.01927 142.2
[M]- 180.02037 142.2
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