CID 12501714

2-bromo-1,2-diphenylethenyl 4-methylphenyl sulfoxide

Structural Information

Molecular Formula
C21H17BrO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/C(=C(/C2=CC=CC=C2)\Br)/C3=CC=CC=C3
InChI
InChI=1S/C21H17BrO2S/c1-16-12-14-19(15-13-16)25(23,24)21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15H,1H3/b21-20-
InChIKey
CPAXNXCTPKOPTH-MRCUWXFGSA-N
Compound name
1-[(Z)-2-bromo-1,2-diphenylethenyl]sulfonyl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17450
References

0
Patents

412.01328 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.02056 168.3
[M+Na]+ 435.00250 173.9
[M+NH4]+ 430.04710 173.3
[M+K]+ 450.97644 171.3
[M-H]- 411.00600 172.4
[M+Na-2H]- 432.98795 176.7
[M]+ 412.01273 169.8
[M]- 412.01383 169.8
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

No patent data available for this compound.