CID 169028

Benzene, dimethyl((methylphenyl)sulfonyl)-

Structural Information

Molecular Formula
C15H16O2S
SMILES
CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=CC=C2C)C
InChI
InChI=1S/C15H16O2S/c1-11-8-6-10-15(13(11)3)18(16,17)14-9-5-4-7-12(14)2/h4-10H,1-3H3
InChIKey
FCZRXPGPBHXENV-UHFFFAOYSA-N
Compound name
1,2-dimethyl-3-(2-methylphenyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

260.0871 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09438 156.0
[M+Na]+ 283.07632 166.1
[M-H]- 259.07982 163.8
[M+NH4]+ 278.12092 173.9
[M+K]+ 299.05026 161.4
[M+H-H2O]+ 243.08436 149.5
[M+HCOO]- 305.08530 174.2
[M+CH3COO]- 319.10095 195.1
[M+Na-2H]- 281.06177 159.3
[M]+ 260.08655 159.9
[M]- 260.08765 159.9
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