CID 3015493

7-iodo-8-hydroxyquinoline-sulphonic acid

Structural Information

Molecular Formula
C9H6INO4S
SMILES
C1=CC(=C(C2=C1C=CC(=N2)S(=O)(=O)O)O)I
InChI
InChI=1S/C9H6INO4S/c10-6-3-1-5-2-4-7(16(13,14)15)11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
InChIKey
FZTIYEMFMFVAMK-UHFFFAOYSA-N
Compound name
8-hydroxy-7-iodoquinoline-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

350.90622 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe