CID 135592368

292056-77-0

Structural Information

Molecular Formula
C22H14Cl2F3N3O2S
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=N/N=C/3\NC(=O)C(S3)CC4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C22H14Cl2F3N3O2S/c23-16-6-2-4-13(19(16)24)10-18-20(31)29-21(33-18)30-28-11-15-7-8-17(32-15)12-3-1-5-14(9-12)22(25,26)27/h1-9,11,18H,10H2,(H,29,30,31)/b28-11+
InChIKey
KRMQVOHTSBTKJG-IPBVOBEMSA-N
Compound name
(2E)-5-[(2,3-dichlorophenyl)methyl]-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.01358 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.02086 213.4
[M+Na]+ 534.00280 223.2
[M+NH4]+ 529.04740 217.9
[M+K]+ 549.97674 217.0
[M-H]- 510.00630 216.4
[M+Na-2H]- 531.98825 218.1
[M]+ 511.01303 216.2
[M]- 511.01413 216.2
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.