CID 44149234

70851-58-0

Structural Information

Molecular Formula
C14H11NO6S2
SMILES
CC1=NC2=C(C=C1)C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C14H11NO6S2/c1-8-2-3-10-12-6-9(22(16,17)18)7-14(23(19,20)21)11(12)4-5-13(10)15-8/h2-7H,1H3,(H,16,17,18)(H,19,20,21)
InChIKey
NNEPUQQDXGOEPC-UHFFFAOYSA-N
Compound name
3-methylbenzo[f]quinoline-7,9-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.00278 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.01006 176.3
[M+Na]+ 375.99200 189.1
[M+NH4]+ 371.03660 182.1
[M+K]+ 391.96594 181.3
[M-H]- 351.99550 175.6
[M+Na-2H]- 373.97745 180.6
[M]+ 353.00223 178.9
[M]- 353.00333 178.9
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.