CID 5147886

Methanesulfonic acid 4-methanesulfonyloxymethyl-2-methoxy-phenyl ester

Structural Information

Molecular Formula
C10H14O7S2
SMILES
COC1=C(C=CC(=C1)COS(=O)(=O)C)OS(=O)(=O)C
InChI
InChI=1S/C10H14O7S2/c1-15-10-6-8(7-16-18(2,11)12)4-5-9(10)17-19(3,13)14/h4-6H,7H2,1-3H3
InChIKey
BHQOOUUIMNZIEE-UHFFFAOYSA-N
Compound name
(3-methoxy-4-methylsulfonyloxyphenyl)methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0181 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02538 164.3
[M+Na]+ 333.00732 172.7
[M-H]- 309.01082 167.9
[M+NH4]+ 328.05192 179.3
[M+K]+ 348.98126 170.0
[M+H-H2O]+ 293.01536 158.1
[M+HCOO]- 355.01630 176.6
[M+CH3COO]- 369.03195 197.2
[M+Na-2H]- 330.99277 168.4
[M]+ 310.01755 173.9
[M]- 310.01865 173.9
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.