CID 24672

94803-32-4

Structural Information

Molecular Formula
C18H11NO8S2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C18H11NO8S2/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27/h1-8,15H,(H,22,23,24)(H,25,26,27)
InChIKey
OESPFRYVCUTRKF-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

50
References

9214
Patents

432.9926 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.99988 196.2
[M+Na]+ 455.98182 206.1
[M-H]- 431.98532 201.1
[M+NH4]+ 451.02642 207.1
[M+K]+ 471.95576 201.0
[M+H-H2O]+ 415.98986 191.5
[M+HCOO]- 477.99080 202.8
[M+CH3COO]- 492.00645 217.5
[M+Na-2H]- 453.96727 201.6
[M]+ 432.99205 202.7
[M]- 432.99315 202.7
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