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

24
Patents

166.03784 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.045116 129.1
[M+Na]+ 189.027058 137.4
[M-H]- 165.030564 133.0
[M+NH4]+ 184.071663 148.5
[M+K]+ 205.000998 131.7
[M+H-H2O]+ 149.035100 128.0
[M+HCOO]- 211.036041 156.3
[M+CH3COO]- 225.051691 173.7
[M+Na-2H]- 187.012506 137.1
[M]+ 166.03729142 126.9
[M]- 166.03838858 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