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 196.6
[M+Na]+ 441.04369 204.9
[M-H]- 417.04719 206.1
[M+NH4]+ 436.08829 206.8
[M+K]+ 457.01763 199.4
[M+H-H2O]+ 401.05173 187.9
[M+HCOO]- 463.05267 208.7
[M+CH3COO]- 477.06832 217.7
[M+Na-2H]- 439.02914 200.6
[M]+ 418.05392 203.4
[M]- 418.05502 203.4
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