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]+ 200.071746 138.5
[M+Na]+ 222.053688 147.9
[M-H]- 198.057194 141.3
[M+NH4]+ 217.098293 157.8
[M+K]+ 238.027628 146.7
[M+H-H2O]+ 182.061730 131.9
[M+HCOO]- 244.062671 162.3
[M+CH3COO]- 258.078321 187.2
[M+Na-2H]- 220.039136 142.0
[M]+ 199.06392142 139.6
[M]- 199.06501858 139.6
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.