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]+ 351.913496 157.1
[M+Na]+ 373.895438 160.5
[M-H]- 349.898944 151.6
[M+NH4]+ 368.940043 168.8
[M+K]+ 389.869378 162.3
[M+H-H2O]+ 333.903480 147.9
[M+HCOO]- 395.904421 166.6
[M+CH3COO]- 409.920071 192.1
[M+Na-2H]- 371.880886 151.3
[M]+ 350.90567142 157.1
[M]- 350.90676858 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.