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

1480
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.