CID 1381468

35274-39-6

Structural Information

Molecular Formula
C14H8BrNO2S2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=S)S3)Br
InChI
InChI=1S/C14H8BrNO2S2/c15-9-3-1-8(2-4-9)11-6-5-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)/b12-7-
InChIKey
MERSOXJRJWZSND-GHXNOFRVSA-N
Compound name
(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

364.91797 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.92525 162.8
[M+Na]+ 387.90719 177.8
[M-H]- 363.91069 174.6
[M+NH4]+ 382.95179 181.5
[M+K]+ 403.88113 164.5
[M+H-H2O]+ 347.91523 165.3
[M+HCOO]- 409.91617 173.9
[M+CH3COO]- 423.93182 177.4
[M+Na-2H]- 385.89264 161.9
[M]+ 364.91742 182.4
[M]- 364.91852 182.4
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.