CID 84659916

Methyl 3-amino-2-fluoro-4-hydroxybenzoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.04883 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.056106 134.5
[M+Na]+ 208.038048 143.9
[M-H]- 184.041554 136.1
[M+NH4]+ 203.082653 153.7
[M+K]+ 224.011988 142.0
[M+H-H2O]+ 168.046090 128.3
[M+HCOO]- 230.047031 157.1
[M+CH3COO]- 244.062681 181.7
[M+Na-2H]- 206.023496 138.0
[M]+ 185.04828142 133.3
[M]- 185.04937858 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