CID 22064531

3-amino-4-nitronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC=C2C(=C1)C=C(C(=C2[N+](=O)[O-])N)C(=O)O
InChI
InChI=1S/C11H8N2O4/c12-9-8(11(14)15)5-6-3-1-2-4-7(6)10(9)13(16)17/h1-5H,12H2,(H,14,15)
InChIKey
VWOXDFIGNUTZAK-UHFFFAOYSA-N
Compound name
3-amino-4-nitronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.0484 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 144.0
[M+Na]+ 255.03762 151.5
[M-H]- 231.04112 147.4
[M+NH4]+ 250.08222 160.9
[M+K]+ 271.01156 144.6
[M+H-H2O]+ 215.04566 142.4
[M+HCOO]- 277.04660 167.3
[M+CH3COO]- 291.06225 185.1
[M+Na-2H]- 253.02307 151.3
[M]+ 232.04785 141.4
[M]- 232.04895 141.4
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