CID 72233186

5-cyclopropoxy-2-fluorobenzoic acid

Structural Information

Molecular Formula
C10H9FO3
SMILES
C1CC1OC2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H9FO3/c11-9-4-3-7(14-6-1-2-6)5-8(9)10(12)13/h3-6H,1-2H2,(H,12,13)
InChIKey
GFIOUWXIGFIZNA-UHFFFAOYSA-N
Compound name
5-cyclopropyloxy-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05357 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.060846 134.7
[M+Na]+ 219.042788 144.9
[M-H]- 195.046294 140.3
[M+NH4]+ 214.087393 148.8
[M+K]+ 235.016728 141.7
[M+H-H2O]+ 179.050830 127.7
[M+HCOO]- 241.051771 156.8
[M+CH3COO]- 255.067421 184.6
[M+Na-2H]- 217.028236 139.5
[M]+ 196.05302142 137.0
[M]- 196.05411858 137.0
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.