CID 228289

6315-52-2

Structural Information

Molecular Formula
C16H18O6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey
LZIPBJBQQPZLOR-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1474
Patents

370.05447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06175 183.1
[M+Na]+ 393.04369 194.2
[M+NH4]+ 388.08829 188.7
[M+K]+ 409.01763 185.7
[M-H]- 369.04719 184.1
[M+Na-2H]- 391.02914 189.0
[M]+ 370.05392 185.9
[M]- 370.05502 185.9
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