CID 135414218

303093-51-8

Structural Information

Molecular Formula
C16H12Cl2N2OS
SMILES
C1=CC(=CC=C1CC2C(=O)NC(=NC3=CC=C(C=C3)Cl)S2)Cl
InChI
InChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21)
InChIKey
GGHAKSUARLJHQT-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.00473 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.01201 179.3
[M+Na]+ 372.99395 189.1
[M-H]- 348.99745 187.5
[M+NH4]+ 368.03855 194.7
[M+K]+ 388.96789 180.6
[M+H-H2O]+ 333.00199 172.4
[M+HCOO]- 395.00293 187.9
[M+CH3COO]- 409.01858 190.0
[M+Na-2H]- 370.97940 177.5
[M]+ 350.00418 181.5
[M]- 350.00528 181.5
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