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

17498
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 181.8
[M+Na]+ 435.00250 191.3
[M-H]- 411.00600 193.4
[M+NH4]+ 430.04710 196.2
[M+K]+ 450.97644 178.0
[M+H-H2O]+ 395.01054 180.6
[M+HCOO]- 457.01148 195.7
[M+CH3COO]- 471.02713 215.0
[M+Na-2H]- 432.98795 185.5
[M]+ 412.01273 200.9
[M]- 412.01383 200.9
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

No patent data available for this compound.