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]+ 184.07683 136.0
[M+Na]+ 206.05877 145.0
[M-H]- 182.06227 137.4
[M+NH4]+ 201.10337 155.3
[M+K]+ 222.03271 142.3
[M+H-H2O]+ 166.06681 129.9
[M+HCOO]- 228.06775 158.1
[M+CH3COO]- 242.08340 183.2
[M+Na-2H]- 204.04422 139.0
[M]+ 183.06900 133.8
[M]- 183.07010 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.