CID 5719261

312758-27-3

Structural Information

Molecular Formula
C18H10Cl2N2S
SMILES
C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H10Cl2N2S/c19-15-7-5-12(6-8-15)17-11-23-18(22-17)14(10-21)9-13-3-1-2-4-16(13)20/h1-9,11H/b14-9+
InChIKey
NJZZKMWUYINAOP-NTEUORMPSA-N
Compound name
(E)-3-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.99417 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.00145 189.6
[M+Na]+ 378.98339 203.1
[M-H]- 354.98689 196.4
[M+NH4]+ 374.02799 203.4
[M+K]+ 394.95733 192.2
[M+H-H2O]+ 338.99143 176.1
[M+HCOO]- 400.99237 195.4
[M+CH3COO]- 415.00802 198.8
[M+Na-2H]- 376.96884 187.1
[M]+ 355.99362 188.6
[M]- 355.99472 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.