CID 5031711

8-hydroxy-7-iodo-6-quinolinesulfonic acid

Structural Information

Molecular Formula
C9H6INO4S
SMILES
C1=CC2=CC(=C(C(=C2N=C1)O)I)S(=O)(=O)O
InChI
InChI=1S/C9H6INO4S/c10-7-6(16(13,14)15)4-5-2-1-3-11-8(5)9(7)12/h1-4,12H,(H,13,14,15)
InChIKey
ZMUMAXFIUNXXFP-UHFFFAOYSA-N
Compound name
8-hydroxy-7-iodoquinoline-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.90622 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.91350 157.1
[M+Na]+ 373.89544 160.5
[M-H]- 349.89894 151.6
[M+NH4]+ 368.94004 168.8
[M+K]+ 389.86938 162.3
[M+H-H2O]+ 333.90348 147.9
[M+HCOO]- 395.90442 166.6
[M+CH3COO]- 409.92007 192.1
[M+Na-2H]- 371.88089 151.3
[M]+ 350.90567 157.1
[M]- 350.90677 157.1
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.