CID 45480382

2-ethyl-6-fluorobenzoic acid

Structural Information

Molecular Formula
C9H9FO2
SMILES
CCC1=C(C(=CC=C1)F)C(=O)O
InChI
InChI=1S/C9H9FO2/c1-2-6-4-3-5-7(10)8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChIKey
MFXILNDORCQUKP-UHFFFAOYSA-N
Compound name
2-ethyl-6-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

168.05865 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 134.2
[M+Na]+ 191.04787 146.2
[M+NH4]+ 186.09247 141.7
[M+K]+ 207.02181 140.5
[M-H]- 167.05137 134.2
[M+Na-2H]- 189.03332 139.7
[M]+ 168.05810 135.7
[M]- 168.05920 135.7
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