CID 46928544

R-3,3'-dibromo-1,1'-binaphthalene-2,2'-sulfonimide

Structural Information

Molecular Formula
C20H11Br2NO4S2
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)Br)S(=O)(=O)NS3(=O)=O)Br
InChI
InChI=1S/C20H11Br2NO4S2/c21-15-9-11-5-1-3-7-13(11)17-18-14-8-4-2-6-12(14)10-16(22)20(18)29(26,27)23-28(24,25)19(15)17/h1-10,23H
InChIKey
LLIFLAJOLMQNON-UHFFFAOYSA-N
Compound name
10,16-dibromo-12lambda6,14lambda6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.8496 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.85688 152.8
[M+Na]+ 573.83882 150.3
[M+NH4]+ 568.88342 156.4
[M+K]+ 589.81276 153.4
[M-H]- 549.84232 154.2
[M+Na-2H]- 571.82427 157.3
[M]+ 550.84905 152.8
[M]- 550.85015 152.8
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

No patent data available for this compound.