CID 84668670

Methyl 3-amino-4-fluoro-5-methoxybenzoate

Structural Information

Molecular Formula
C9H10FNO3
SMILES
COC1=CC(=CC(=C1F)N)C(=O)OC
InChI
InChI=1S/C9H10FNO3/c1-13-7-4-5(9(12)14-2)3-6(11)8(7)10/h3-4H,11H2,1-2H3
InChIKey
YBYOHFPZJFQPPO-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-fluoro-5-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.06447 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07175 140.6
[M+Na]+ 222.05369 151.4
[M+NH4]+ 217.09829 147.2
[M+K]+ 238.02763 146.9
[M-H]- 198.05719 140.7
[M+Na-2H]- 220.03914 145.2
[M]+ 199.06392 141.9
[M]- 199.06502 141.9
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.