CID 2761106

[3,5-bis(methylsulfonyl)phenyl]methanol

Structural Information

Molecular Formula
C9H12O5S2
SMILES
CS(=O)(=O)C1=CC(=CC(=C1)CO)S(=O)(=O)C
InChI
InChI=1S/C9H12O5S2/c1-15(11,12)8-3-7(6-10)4-9(5-8)16(2,13)14/h3-5,10H,6H2,1-2H3
InChIKey
IDDJNQHFOJHFCH-UHFFFAOYSA-N
Compound name
[3,5-bis(methylsulfonyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0126 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.019876 153.8
[M+Na]+ 287.001818 162.9
[M-H]- 263.005324 156.3
[M+NH4]+ 282.046423 170.2
[M+K]+ 302.975758 158.3
[M+H-H2O]+ 247.009860 148.5
[M+HCOO]- 309.010801 164.4
[M+CH3COO]- 323.026451 187.6
[M+Na-2H]- 284.987266 157.0
[M]+ 264.01205142 158.4
[M]- 264.01314858 158.4
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.