CID 1712528

4-[(methylsulfonyl)oxy]phenyl methanesulfonate

Structural Information

Molecular Formula
C8H10O6S2
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)OS(=O)(=O)C
InChI
InChI=1S/C8H10O6S2/c1-15(9,10)13-7-3-5-8(6-4-7)14-16(2,11)12/h3-6H,1-2H3
InChIKey
BJOJAFLAKYWAAQ-UHFFFAOYSA-N
Compound name
(4-methylsulfonyloxyphenyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

265.99188 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99916 153.8
[M+Na]+ 288.98110 162.8
[M-H]- 264.98460 157.6
[M+NH4]+ 284.02570 170.5
[M+K]+ 304.95504 159.9
[M+H-H2O]+ 248.98914 148.1
[M+HCOO]- 310.99008 166.6
[M+CH3COO]- 325.00573 188.0
[M+Na-2H]- 286.96655 158.8
[M]+ 265.99133 161.0
[M]- 265.99243 161.0
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