CID 15200291

2-amino-6-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])C=O)N
InChI
InChI=1S/C7H6N2O3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H,8H2
InChIKey
HACOHMHYAQXUOL-UHFFFAOYSA-N
Compound name
2-amino-6-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

166.03784 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 129.1
[M+Na]+ 189.02706 137.4
[M-H]- 165.03056 133.0
[M+NH4]+ 184.07166 148.5
[M+K]+ 205.00100 131.7
[M+H-H2O]+ 149.03510 128.0
[M+HCOO]- 211.03604 156.3
[M+CH3COO]- 225.05169 173.7
[M+Na-2H]- 187.01251 137.1
[M]+ 166.03729 126.9
[M]- 166.03839 126.9
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