CID 88606

458-46-8

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1=CC(=CC(=C1)F)C=CC(=O)O
InChI
InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)
InChIKey
RTSIUKMGSDOSTI-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

856
Patents

166.04301 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 130.7
[M+Na]+ 189.03223 139.0
[M-H]- 165.03573 132.0
[M+NH4]+ 184.07683 150.6
[M+K]+ 205.00617 136.1
[M+H-H2O]+ 149.04027 124.6
[M+HCOO]- 211.04121 152.6
[M+CH3COO]- 225.05686 174.9
[M+Na-2H]- 187.01768 136.0
[M]+ 166.04246 128.7
[M]- 166.04356 128.7
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