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

15
Patents

232.0484 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.055676 144.0
[M+Na]+ 255.037618 151.5
[M-H]- 231.041124 147.4
[M+NH4]+ 250.082223 160.9
[M+K]+ 271.011558 144.6
[M+H-H2O]+ 215.045660 142.4
[M+HCOO]- 277.046601 167.3
[M+CH3COO]- 291.062251 185.1
[M+Na-2H]- 253.023066 151.3
[M]+ 232.04785142 141.4
[M]- 232.04894858 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