CID 11051851

125872-67-5

Structural Information

Molecular Formula
C9H9FO
SMILES
C1=CC(=CC(=C1)F)/C=C/CO
InChI
InChI=1S/C9H9FO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-5,7,11H,6H2/b4-2+
InChIKey
VCJXSANJUHQWOX-DUXPYHPUSA-N
Compound name
(E)-3-(3-fluorophenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

152.06374 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 128.5
[M+Na]+ 175.052958 136.9
[M-H]- 151.056464 129.7
[M+NH4]+ 170.097563 149.3
[M+K]+ 191.026898 133.6
[M+H-H2O]+ 135.061000 122.6
[M+HCOO]- 197.061941 151.0
[M+CH3COO]- 211.077591 173.0
[M+Na-2H]- 173.038406 135.1
[M]+ 152.06319142 126.5
[M]- 152.06428858 126.5
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