CID 19773124

3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol

Structural Information

Molecular Formula
C10H9F3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C=C/CO
InChI
InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7,14H,6H2/b4-2+
InChIKey
YDNLMIBCGPTFIK-DUXPYHPUSA-N
Compound name
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

202.06055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 147.2
[M+Na]+ 225.04977 156.5
[M+NH4]+ 220.09437 152.8
[M+K]+ 241.02371 150.5
[M-H]- 201.05327 143.9
[M+Na-2H]- 223.03522 151.2
[M]+ 202.06000 147.3
[M]- 202.06110 147.3
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