CID 131585187

(2e)-3-fluoro-3-phenylprop-2-enoic acid

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1=CC=C(C=C1)/C(=C\C(=O)O)/F
InChI
InChI=1S/C9H7FO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6+
InChIKey
UJXJAFOYAIWOFY-SOFGYWHQSA-N
Compound name
(E)-3-fluoro-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04301 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 131.6
[M+Na]+ 189.03223 138.8
[M-H]- 165.03573 132.6
[M+NH4]+ 184.07683 151.2
[M+K]+ 205.00617 136.3
[M+H-H2O]+ 149.04027 125.4
[M+HCOO]- 211.04121 152.5
[M+CH3COO]- 225.05686 174.7
[M+Na-2H]- 187.01768 136.3
[M]+ 166.04246 128.6
[M]- 166.04356 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.