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

1117
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 128.4
[M+Na]+ 203.00904 138.8
[M-H]- 179.01254 126.4
[M+NH4]+ 198.05364 148.2
[M+K]+ 218.98298 135.7
[M+H-H2O]+ 163.01708 120.6
[M+HCOO]- 225.01802 146.5
[M+CH3COO]- 239.03367 177.8
[M+Na-2H]- 200.99449 134.1
[M]+ 180.01927 122.4
[M]- 180.02037 122.4
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