CID 21824646

Quinoline, 7-bromo-8-hydroxy-2-methyl-5-sulpho-

Structural Information

Molecular Formula
C10H8BrNO4S
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)Br)S(=O)(=O)O
InChI
InChI=1S/C10H8BrNO4S/c1-5-2-3-6-8(17(14,15)16)4-7(11)10(13)9(6)12-5/h2-4,13H,1H3,(H,14,15,16)
InChIKey
RCNMOZPMVFUXCU-UHFFFAOYSA-N
Compound name
7-bromo-8-hydroxy-2-methylquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.93573 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.94301 148.7
[M+Na]+ 339.92495 162.8
[M-H]- 315.92845 153.2
[M+NH4]+ 334.96955 166.6
[M+K]+ 355.89889 150.2
[M+H-H2O]+ 299.93299 149.5
[M+HCOO]- 361.93393 161.0
[M+CH3COO]- 375.94958 194.9
[M+Na-2H]- 337.91040 156.0
[M]+ 316.93518 170.7
[M]- 316.93628 170.7
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

No patent data available for this compound.