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

25
Patents

166.04301 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 128.6
[M+Na]+ 189.03223 136.9
[M-H]- 165.03573 131.2
[M+NH4]+ 184.07683 143.4
[M+K]+ 205.00617 137.4
[M+H-H2O]+ 149.04027 118.0
[M+HCOO]- 211.04121 148.3
[M+CH3COO]- 225.05686 180.8
[M+Na-2H]- 187.01768 134.5
[M]+ 166.04246 136.4
[M]- 166.04356 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