CID 522654

2-fluoro-4-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H4F4O
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)O
InChI
InChI=1S/C7H4F4O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
InChIKey
WEUIJSDNBZVSNY-UHFFFAOYSA-N
Compound name
2-fluoro-4-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

180.01982 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe