CID 10051335

3-[7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid

Structural Information

Molecular Formula
C24H16N2O6S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)S(=O)(=O)O
InChI
InChI=1S/C24H16N2O6S2/c27-33(28,29)17-6-4-15(5-7-17)19-10-12-25-23-21(19)8-9-22-20(11-13-26-24(22)23)16-2-1-3-18(14-16)34(30,31)32/h1-14H,(H,27,28,29)(H,30,31,32)
InChIKey
GTBSSZZGINYBDZ-UHFFFAOYSA-N
Compound name
3-[7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

492.04498 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.05226 208.4
[M+Na]+ 515.03420 225.0
[M+NH4]+ 510.07880 214.2
[M+K]+ 531.00814 214.8
[M-H]- 491.03770 212.6
[M+Na-2H]- 513.01965 218.3
[M]+ 492.04443 213.2
[M]- 492.04553 213.2
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

patents stripe