CID 6478118

5-[(3-bromo-4-fluorophenyl)methylene]-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H10BrFN2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)F)Br)/SC2=S
InChI
InChI=1S/C16H10BrFN2O3S3/c17-12-8-10(6-7-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H/b14-9+
InChIKey
FIRWUIFIDSZGKA-NTEUORMPSA-N
Compound name
N-[(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.9021 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.90938 175.8
[M+Na]+ 494.89132 189.3
[M-H]- 470.89482 184.7
[M+NH4]+ 489.93592 189.3
[M+K]+ 510.86526 172.1
[M+H-H2O]+ 454.89936 175.4
[M+HCOO]- 516.90030 180.7
[M+CH3COO]- 530.91595 222.6
[M+Na-2H]- 492.87677 178.0
[M]+ 471.90155 193.2
[M]- 471.90265 193.2
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.