CID 56924399

Methyl 2-amino-4-fluoro-5-hydroxybenzoate

Structural Information

Molecular Formula
C8H8FNO3
SMILES
COC(=O)C1=CC(=C(C=C1N)F)O
InChI
InChI=1S/C8H8FNO3/c1-13-8(12)4-2-7(11)5(9)3-6(4)10/h2-3,11H,10H2,1H3
InChIKey
FSUONMUAAVMIJC-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-fluoro-5-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.04883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 134.5
[M+Na]+ 208.03805 143.9
[M-H]- 184.04155 136.1
[M+NH4]+ 203.08265 153.7
[M+K]+ 224.01199 142.0
[M+H-H2O]+ 168.04609 128.3
[M+HCOO]- 230.04703 157.1
[M+CH3COO]- 244.06268 181.7
[M+Na-2H]- 206.02350 138.0
[M]+ 185.04828 133.3
[M]- 185.04938 133.3
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

patents stripe