CID 21896800

Methyl 2-amino-6-fluoro-3-nitrobenzoate

Structural Information

Molecular Formula
C8H7FN2O4
SMILES
COC(=O)C1=C(C=CC(=C1N)[N+](=O)[O-])F
InChI
InChI=1S/C8H7FN2O4/c1-15-8(12)6-4(9)2-3-5(7(6)10)11(13)14/h2-3H,10H2,1H3
InChIKey
CZWULSUQQAOBDL-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-fluoro-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

214.03899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04627 138.7
[M+Na]+ 237.02821 147.1
[M-H]- 213.03171 141.5
[M+NH4]+ 232.07281 156.3
[M+K]+ 253.00215 141.8
[M+H-H2O]+ 197.03625 136.5
[M+HCOO]- 259.03719 163.7
[M+CH3COO]- 273.05284 182.9
[M+Na-2H]- 235.01366 144.0
[M]+ 214.03844 136.7
[M]- 214.03954 136.7
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