CID 23367469

Einecs 281-615-3

Structural Information

Molecular Formula
C18H14O6S2
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H14O6S2/c19-25(20,21)16-12-11-15(13-7-3-1-4-8-13)17(18(16)26(22,23)24)14-9-5-2-6-10-14/h1-12H,(H,19,20,21)(H,22,23,24)
InChIKey
FSYXAPOKTVUUFC-UHFFFAOYSA-N
Compound name
3,4-diphenylbenzene-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

390.0232 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.030476 187.2
[M+Na]+ 413.012418 195.3
[M-H]- 389.015924 194.2
[M+NH4]+ 408.057023 197.0
[M+K]+ 428.986358 188.6
[M+H-H2O]+ 373.020460 179.6
[M+HCOO]- 435.021401 196.9
[M+CH3COO]- 449.037051 207.7
[M+Na-2H]- 410.997866 191.6
[M]+ 390.02265142 189.9
[M]- 390.02374858 189.9
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

patents stripe