CID 15741776

Dixylyl sulfone

Structural Information

Molecular Formula
C16H18O2S
SMILES
CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=CC(=C2C)C)C
InChI
InChI=1S/C16H18O2S/c1-11-7-5-9-15(13(11)3)19(17,18)16-10-6-8-12(2)14(16)4/h5-10H,1-4H3
InChIKey
IOGPZWCEELGKFR-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

274.10275 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11003 159.6
[M+Na]+ 297.09197 170.0
[M-H]- 273.09547 167.6
[M+NH4]+ 292.13657 177.2
[M+K]+ 313.06591 165.2
[M+H-H2O]+ 257.10001 153.1
[M+HCOO]- 319.10095 177.4
[M+CH3COO]- 333.11660 199.3
[M+Na-2H]- 295.07742 161.7
[M]+ 274.10220 164.2
[M]- 274.10330 164.2
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