CID 1271776

5-benzylidene-3-(p-chlorophenyl)rhodanine

Structural Information

Molecular Formula
C16H10ClNOS2
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H10ClNOS2/c17-12-6-8-13(9-7-12)18-15(19)14(21-16(18)20)10-11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKey
HQVQKKXNCMMATE-GXDHUFHOSA-N
Compound name
(5E)-5-benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.98923 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99651 173.5
[M+Na]+ 353.97845 184.7
[M-H]- 329.98195 182.6
[M+NH4]+ 349.02305 190.0
[M+K]+ 369.95239 175.8
[M+H-H2O]+ 313.98649 167.5
[M+HCOO]- 375.98743 181.3
[M+CH3COO]- 390.00308 185.0
[M+Na-2H]- 351.96390 170.2
[M]+ 330.98868 175.6
[M]- 330.98978 175.6
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.