CID 67666

2-(trifluoromethyl)benzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

878
Patents

176.0449 Da
Monoisotopic Mass

1.9
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

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