CID 11983303

893449-38-2

Structural Information

Molecular Formula
C17H11Br2NO2S2
SMILES
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=C\3/C(=O)NC(=S)S3)Br
InChI
InChI=1S/C17H11Br2NO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)/b15-8-
InChIKey
HXNBAOLVPAWYLT-NVNXTCNLSA-N
Compound name
(5Z)-5-[[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

185
Patents

482.8598 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.86708 156.2
[M+Na]+ 505.84902 168.6
[M-H]- 481.85252 166.3
[M+NH4]+ 500.89362 171.1
[M+K]+ 521.82296 150.5
[M+H-H2O]+ 465.85706 165.7
[M+HCOO]- 527.85800 163.2
[M+CH3COO]- 541.87365 169.1
[M+Na-2H]- 503.83447 158.2
[M]+ 482.85925 190.8
[M]- 482.86035 190.8
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

patents stripe