CID 637556

3-(methylsulfonyl)phenol

Structural Information

Molecular Formula
C7H8O3S
SMILES
CS(=O)(=O)C1=CC=CC(=C1)O
InChI
InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChIKey
MRZXZRGNTXHLKA-UHFFFAOYSA-N
Compound name
3-methylsulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

172.01941 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02669 133.4
[M+Na]+ 195.00863 145.3
[M+NH4]+ 190.05323 141.4
[M+K]+ 210.98257 138.7
[M-H]- 171.01213 134.0
[M+Na-2H]- 192.99408 139.2
[M]+ 172.01886 135.7
[M]- 172.01996 135.7
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

patents stripe