CID 3006223

Schembl6789737

Structural Information

Molecular Formula
C14H7Cl2NOS3
SMILES
C1=CC(=C(C=C1C2=CC=C(S2)C=C3C(=O)NC(=S)S3)Cl)Cl
InChI
InChI=1S/C14H7Cl2NOS3/c15-9-3-1-7(5-10(9)16)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)
InChIKey
SYSPQVSFYJERIH-UHFFFAOYSA-N
Compound name
5-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.90668 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.91396 182.7
[M+Na]+ 393.89590 195.2
[M-H]- 369.89940 190.4
[M+NH4]+ 388.94050 199.5
[M+K]+ 409.86984 185.0
[M+H-H2O]+ 353.90394 180.1
[M+HCOO]- 415.90488 180.4
[M+CH3COO]- 429.92053 192.8
[M+Na-2H]- 391.88135 175.6
[M]+ 370.90613 184.4
[M]- 370.90723 184.4
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

patents stripe