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]+ 391.03048 187.2
[M+Na]+ 413.01242 195.3
[M-H]- 389.01592 194.2
[M+NH4]+ 408.05702 197.0
[M+K]+ 428.98636 188.6
[M+H-H2O]+ 373.02046 179.6
[M+HCOO]- 435.02140 196.9
[M+CH3COO]- 449.03705 207.7
[M+Na-2H]- 410.99787 191.6
[M]+ 390.02265 189.9
[M]- 390.02375 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