CID 346077

Hydroquinone ditosylate

Structural Information

Molecular Formula
C20H18O6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H18O6S2/c1-15-3-11-19(12-4-15)27(21,22)25-17-7-9-18(10-8-17)26-28(23,24)20-13-5-16(2)6-14-20/h3-14H,1-2H3
InChIKey
VTSNEDSSUJGUGK-UHFFFAOYSA-N
Compound name
[4-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

418.05447 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.06175 193.4
[M+Na]+ 441.04369 207.0
[M+NH4]+ 436.08829 199.6
[M+K]+ 457.01763 197.4
[M-H]- 417.04719 197.3
[M+Na-2H]- 439.02914 202.6
[M]+ 418.05392 197.6
[M]- 418.05502 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe