CID 62490670

5-cyclopropyl-2-fluorobenzoic acid

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1CC1C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H9FO2/c11-9-4-3-7(6-1-2-6)5-8(9)10(12)13/h3-6H,1-2H2,(H,12,13)
InChIKey
FSSFCYWOXXBPPW-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.05865 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 130.9
[M+Na]+ 203.04787 141.2
[M-H]- 179.05137 136.6
[M+NH4]+ 198.09247 145.7
[M+K]+ 219.02181 137.6
[M+H-H2O]+ 163.05591 124.1
[M+HCOO]- 225.05685 152.9
[M+CH3COO]- 239.07250 182.6
[M+Na-2H]- 201.03332 135.8
[M]+ 180.05810 131.8
[M]- 180.05920 131.8
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