CID 112857

62554-36-3

Structural Information

Molecular Formula
C23H15NO6
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)[N+](=O)[O-])O
InChI
InChI=1S/C23H15NO6/c25-22-19-9-5-4-8-18(19)21(29-17-12-10-15(11-13-17)24(27)28)14-20(22)23(26)30-16-6-2-1-3-7-16/h1-14,25H
InChIKey
MHGYCNASCKWCTE-UHFFFAOYSA-N
Compound name
phenyl 1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

401.08994 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.09722 192.4
[M+Na]+ 424.07916 197.2
[M-H]- 400.08266 201.5
[M+NH4]+ 419.12376 201.2
[M+K]+ 440.05310 189.1
[M+H-H2O]+ 384.08720 185.9
[M+HCOO]- 446.08814 213.2
[M+CH3COO]- 460.10379 214.3
[M+Na-2H]- 422.06461 198.2
[M]+ 401.08939 192.7
[M]- 401.09049 192.7
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