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 166.6
[M+Na]+ 332.05294 173.0
[M-H]- 308.05644 173.2
[M+NH4]+ 327.09754 180.1
[M+K]+ 348.02688 165.4
[M+H-H2O]+ 292.06098 162.8
[M+HCOO]- 354.06192 188.7
[M+CH3COO]- 368.07757 196.6
[M+Na-2H]- 330.03839 173.8
[M]+ 309.06317 166.3
[M]- 309.06427 166.3
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