CID 2818492

Methyl 2-amino-6-fluorobenzoate

Structural Information

Molecular Formula
C8H8FNO2
SMILES
COC(=O)C1=C(C=CC=C1F)N
InChI
InChI=1S/C8H8FNO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,10H2,1H3
InChIKey
VKJYAPKCOSGXAD-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

166
Patents

169.05391 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 133.0
[M+Na]+ 192.04313 144.2
[M+NH4]+ 187.08773 140.4
[M+K]+ 208.01707 139.1
[M-H]- 168.04663 133.6
[M+Na-2H]- 190.02858 138.6
[M]+ 169.05336 134.5
[M]- 169.05446 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe