CID 54407937

2-amino-6-nitrobenzamide

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)N)N
InChI
InChI=1S/C7H7N3O3/c8-4-2-1-3-5(10(12)13)6(4)7(9)11/h1-3H,8H2,(H2,9,11)
InChIKey
VSBVFLVLPDTKPJ-UHFFFAOYSA-N
Compound name
2-amino-6-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.04874 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.056016 132.3
[M+Na]+ 204.037958 139.3
[M-H]- 180.041464 135.6
[M+NH4]+ 199.082563 150.3
[M+K]+ 220.011898 133.7
[M+H-H2O]+ 164.046000 130.8
[M+HCOO]- 226.046941 158.8
[M+CH3COO]- 240.062591 178.8
[M+Na-2H]- 202.023406 138.5
[M]+ 181.04819142 127.6
[M]- 181.04928858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe