CID 103329

Phenyl 1-hydroxy-4-nitro-2-naphthoate

Structural Information

Molecular Formula
C17H11NO5
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C17H11NO5/c19-16-13-9-5-4-8-12(13)15(18(21)22)10-14(16)17(20)23-11-6-2-1-3-7-11/h1-10,19H
InChIKey
DMPUGHYNLCGVPX-UHFFFAOYSA-N
Compound name
phenyl 1-hydroxy-4-nitronaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

309.06372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07100 166.2
[M+Na]+ 332.05294 181.7
[M+NH4]+ 327.09754 173.9
[M+K]+ 348.02688 177.4
[M-H]- 308.05644 171.6
[M+Na-2H]- 330.03839 174.3
[M]+ 309.06317 169.9
[M]- 309.06427 169.9
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