CID 257513

4,4'-sulfonylbis(2-methylphenol)

Structural Information

Molecular Formula
C14H14O4S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C14H14O4S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3
InChIKey
XTEGBRKTHOUETR-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3567
Patents

278.06128 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06856 159.0
[M+Na]+ 301.05050 168.8
[M-H]- 277.05400 164.3
[M+NH4]+ 296.09510 174.7
[M+K]+ 317.02444 163.9
[M+H-H2O]+ 261.05854 152.9
[M+HCOO]- 323.05948 174.8
[M+CH3COO]- 337.07513 192.7
[M+Na-2H]- 299.03595 161.6
[M]+ 278.06073 162.0
[M]- 278.06183 162.0
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