CID 10086360

3062-37-1

Structural Information

Molecular Formula
C9H6BrNO4S
SMILES
C1=CC2=C(C(=C(C=C2S(=O)(=O)O)Br)O)N=C1
InChI
InChI=1S/C9H6BrNO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
InChIKey
NDIDONXDHANSOK-UHFFFAOYSA-N
Compound name
7-bromo-8-hydroxyquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

302.9201 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.92738 144.6
[M+Na]+ 325.90932 158.4
[M-H]- 301.91282 148.9
[M+NH4]+ 320.95392 162.7
[M+K]+ 341.88326 146.0
[M+H-H2O]+ 285.91736 145.5
[M+HCOO]- 347.91830 157.3
[M+CH3COO]- 361.93395 190.9
[M+Na-2H]- 323.89477 153.0
[M]+ 302.91955 165.9
[M]- 302.92065 165.9
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