CID 103691919

2-amino-6-fluoro-3-nitrobenzamide

Structural Information

Molecular Formula
C7H6FN3O3
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])N)C(=O)N)F
InChI
InChI=1S/C7H6FN3O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,9H2,(H2,10,12)
InChIKey
DAJJMZZTNABYOO-UHFFFAOYSA-N
Compound name
2-amino-6-fluoro-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.03932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04660 134.3
[M+Na]+ 222.02854 142.3
[M-H]- 198.03204 136.6
[M+NH4]+ 217.07314 151.8
[M+K]+ 238.00248 136.3
[M+H-H2O]+ 182.03658 132.0
[M+HCOO]- 244.03752 159.7
[M+CH3COO]- 258.05317 182.7
[M+Na-2H]- 220.01399 139.3
[M]+ 199.03877 128.9
[M]- 199.03987 128.9
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

patents stripe