CID 130542285

2-amino-4-ethyl-5-fluorobenzoic acid

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CCC1=CC(=C(C=C1F)C(=O)O)N
InChI
InChI=1S/C9H10FNO2/c1-2-5-3-8(11)6(9(12)13)4-7(5)10/h3-4H,2,11H2,1H3,(H,12,13)
InChIKey
YNIOFCVZQYSTFI-UHFFFAOYSA-N
Compound name
2-amino-4-ethyl-5-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06955 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 136.0
[M+Na]+ 206.058768 145.0
[M-H]- 182.062274 137.4
[M+NH4]+ 201.103373 155.3
[M+K]+ 222.032708 142.3
[M+H-H2O]+ 166.066810 129.9
[M+HCOO]- 228.067751 158.1
[M+CH3COO]- 242.083401 183.2
[M+Na-2H]- 204.044216 139.0
[M]+ 183.06900142 133.8
[M]- 183.07009858 133.8
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

No patent data available for this compound.