CID 130064411

Methyl4-amino-2-fluoro-6-methylbenzoate

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CC1=CC(=CC(=C1C(=O)OC)F)N
InChI
InChI=1S/C9H10FNO2/c1-5-3-6(11)4-7(10)8(5)9(12)13-2/h3-4H,11H2,1-2H3
InChIKey
BMVRSFLYJITKSQ-UHFFFAOYSA-N
Compound name
methyl 4-amino-2-fluoro-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06955 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 137.6
[M+Na]+ 206.05877 148.9
[M+NH4]+ 201.10337 144.8
[M+K]+ 222.03271 143.8
[M-H]- 182.06227 138.1
[M+Na-2H]- 204.04422 142.7
[M]+ 183.06900 139.1
[M]- 183.07010 139.1
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.