CID 72233186

5-cyclopropoxy-2-fluorobenzoicacid

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]+ 197.06085 134.7
[M+Na]+ 219.04279 144.9
[M-H]- 195.04629 140.3
[M+NH4]+ 214.08739 148.8
[M+K]+ 235.01673 141.7
[M+H-H2O]+ 179.05083 127.7
[M+HCOO]- 241.05177 156.8
[M+CH3COO]- 255.06742 184.6
[M+Na-2H]- 217.02824 139.5
[M]+ 196.05302 137.0
[M]- 196.05412 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.