CID 487297

4-[(5-nitro-8-quinolyl)sulfonyl]phenol

Structural Information

Molecular Formula
C15H10N2O5S
SMILES
C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)C3=CC=C(C=C3)O)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O5S/c18-10-3-5-11(6-4-10)23(21,22)14-8-7-13(17(19)20)12-2-1-9-16-15(12)14/h1-9,18H
InChIKey
HTWGWACPPXUMIN-UHFFFAOYSA-N
Compound name
4-(5-nitroquinolin-8-yl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.03104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03832 169.0
[M+Na]+ 353.02026 176.7
[M-H]- 329.02376 174.5
[M+NH4]+ 348.06486 180.9
[M+K]+ 368.99420 167.6
[M+H-H2O]+ 313.02830 165.4
[M+HCOO]- 375.02924 185.0
[M+CH3COO]- 389.04489 196.4
[M+Na-2H]- 351.00571 178.1
[M]+ 330.03049 169.5
[M]- 330.03159 169.5
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

No patent data available for this compound.