CID 19773124

113048-69-4

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

126
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 139.1
[M+Na]+ 225.04977 147.7
[M-H]- 201.05327 137.7
[M+NH4]+ 220.09437 157.9
[M+K]+ 241.02371 143.7
[M+H-H2O]+ 185.05781 131.6
[M+HCOO]- 247.05875 157.6
[M+CH3COO]- 261.07440 181.2
[M+Na-2H]- 223.03522 144.5
[M]+ 202.06000 134.4
[M]- 202.06110 134.4
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