CID 23274137

2-(3-methanesulfonylphenoxy)acetic acid

Structural Information

Molecular Formula
C9H10O5S
SMILES
CS(=O)(=O)C1=CC=CC(=C1)OCC(=O)O
InChI
InChI=1S/C9H10O5S/c1-15(12,13)8-4-2-3-7(5-8)14-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey
WPGSAROSYQXAHP-UHFFFAOYSA-N
Compound name
2-(3-methylsulfonylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.02489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03217 145.2
[M+Na]+ 253.01411 153.4
[M-H]- 229.01761 148.0
[M+NH4]+ 248.05871 162.8
[M+K]+ 268.98805 151.3
[M+H-H2O]+ 213.02215 139.7
[M+HCOO]- 275.02309 162.0
[M+CH3COO]- 289.03874 182.7
[M+Na-2H]- 250.99956 149.0
[M]+ 230.02434 149.7
[M]- 230.02544 149.7
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

No patent data available for this compound.