CID 53427419

3-(4-fluorophenyl)but-2-enoic acid

Structural Information

Molecular Formula
C10H9FO2
SMILES
CC(=CC(=O)O)C1=CC=C(C=C1)F
InChI
InChI=1S/C10H9FO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey
DCEOLKDAOUIFHW-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.05865 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 138.5
[M+Na]+ 203.04787 149.6
[M+NH4]+ 198.09247 145.5
[M+K]+ 219.02181 144.2
[M-H]- 179.05137 137.9
[M+Na-2H]- 201.03332 143.5
[M]+ 180.05810 139.6
[M]- 180.05920 139.6
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

patents stripe