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

55
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 165.8
[M+Na]+ 343.05282 174.6
[M-H]- 319.05632 163.8
[M+NH4]+ 338.09742 179.3
[M+K]+ 359.02676 168.8
[M+H-H2O]+ 303.06086 154.2
[M+HCOO]- 365.06180 177.8
[M+CH3COO]- 379.07745 203.9
[M+Na-2H]- 341.03827 168.0
[M]+ 320.06305 156.7
[M]- 320.06415 156.7
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