CID 3821484

1-hydroxy-4-nitronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7NO5
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H7NO5/c13-10-7-4-2-1-3-6(7)9(12(16)17)5-8(10)11(14)15/h1-5,13H,(H,14,15)
InChIKey
VXGFCNFXGCAXIB-UHFFFAOYSA-N
Compound name
1-hydroxy-4-nitronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

233.03242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.039696 143.3
[M+Na]+ 256.021638 151.2
[M-H]- 232.025144 146.0
[M+NH4]+ 251.066243 160.0
[M+K]+ 271.995578 144.4
[M+H-H2O]+ 216.029680 142.2
[M+HCOO]- 278.030621 164.9
[M+CH3COO]- 292.046271 180.4
[M+Na-2H]- 254.007086 151.0
[M]+ 233.03187142 142.0
[M]- 233.03296858 142.0
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