CID 14278978

27738-87-0

Structural Information

Molecular Formula
C12H10O6S4
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)SSC2=CC(=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C12H10O6S4/c13-21(14,15)11-5-1-3-9(7-11)19-20-10-4-2-6-12(8-10)22(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)
InChIKey
QRCGKRRIKGCUQG-UHFFFAOYSA-N
Compound name
3-[(3-sulfophenyl)disulfanyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

377.93604 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.94332 177.6
[M+Na]+ 400.92526 186.1
[M+NH4]+ 395.96986 183.1
[M+K]+ 416.89920 176.4
[M-H]- 376.92876 177.9
[M+Na-2H]- 398.91071 181.1
[M]+ 377.93549 180.5
[M]- 377.93659 180.5
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