CID 366072

Methoxymethyl phenyl sulfone

Structural Information

Molecular Formula
C8H10O3S
SMILES
COCS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H10O3S/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
MZIVRTQIEKRAPI-UHFFFAOYSA-N
Compound name
methoxymethylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

186.03506 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04234 135.9
[M+Na]+ 209.02428 144.7
[M-H]- 185.02778 140.1
[M+NH4]+ 204.06888 156.2
[M+K]+ 224.99822 142.7
[M+H-H2O]+ 169.03232 130.5
[M+HCOO]- 231.03326 155.1
[M+CH3COO]- 245.04891 176.9
[M+Na-2H]- 207.00973 142.0
[M]+ 186.03451 140.1
[M]- 186.03561 140.1
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