CID 67684

4-(trifluoromethyl)benzyl alcohol

Structural Information

Molecular Formula
C8H7F3O
SMILES
C1=CC(=CC=C1CO)C(F)(F)F
InChI
InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKey
MOOUWXDQAUXZRG-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2535
Patents

176.0449 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05218 139.1
[M+Na]+ 199.03412 148.7
[M+NH4]+ 194.07872 145.2
[M+K]+ 215.00806 143.3
[M-H]- 175.03762 136.1
[M+Na-2H]- 197.01957 143.7
[M]+ 176.04435 139.4
[M]- 176.04545 139.4
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