CID 2777401

2-(trifluoromethyl)benzhydrol

Structural Information

Molecular Formula
C14H11F3O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)O
InChI
InChI=1S/C14H11F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9,13,18H
InChIKey
RMAICPATZGPCIL-UHFFFAOYSA-N
Compound name
phenyl-[2-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

252.0762 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08348 152.4
[M+Na]+ 275.06542 159.9
[M-H]- 251.06892 153.9
[M+NH4]+ 270.11002 168.5
[M+K]+ 291.03936 155.2
[M+H-H2O]+ 235.07346 143.2
[M+HCOO]- 297.07440 169.7
[M+CH3COO]- 311.09005 191.4
[M+Na-2H]- 273.05087 156.9
[M]+ 252.07565 146.8
[M]- 252.07675 146.8
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