CID 2736113

1598-89-6

Structural Information

Molecular Formula
C15H10F6O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C15H10F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8,13,22H
InChIKey
WWKAKFGJTVATRV-UHFFFAOYSA-N
Compound name
bis[3-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

320.0636 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07088 178.2
[M+Na]+ 343.05282 184.1
[M+NH4]+ 338.09742 180.5
[M+K]+ 359.02676 179.4
[M-H]- 319.05632 173.0
[M+Na-2H]- 341.03827 180.2
[M]+ 320.06305 177.3
[M]- 320.06415 177.3
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