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
2
Annotation Hits

6
References

1502
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 183.5
[M+Na]+ 393.04369 191.3
[M-H]- 369.04719 189.8
[M+NH4]+ 388.08829 195.8
[M+K]+ 409.01763 186.5
[M+H-H2O]+ 353.05173 175.9
[M+HCOO]- 415.05267 195.4
[M+CH3COO]- 429.06832 208.6
[M+Na-2H]- 391.02914 187.2
[M]+ 370.05392 191.2
[M]- 370.05502 191.2
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