CID 91647635

4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1C(C2=C1C=CC(=C2)F)C(=O)O
InChI
InChI=1S/C9H7FO2/c10-6-2-1-5-3-8(9(11)12)7(5)4-6/h1-2,4,8H,3H2,(H,11,12)
InChIKey
FECFIGBNSKXRJS-UHFFFAOYSA-N
Compound name
4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

166.04301 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.050286 128.6
[M+Na]+ 189.032228 136.9
[M-H]- 165.035734 131.2
[M+NH4]+ 184.076833 143.4
[M+K]+ 205.006168 137.4
[M+H-H2O]+ 149.040270 118.0
[M+HCOO]- 211.041211 148.3
[M+CH3COO]- 225.056861 180.8
[M+Na-2H]- 187.017676 134.5
[M]+ 166.04246142 136.4
[M]- 166.04355858 136.4
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