CID 6474283

4-(2-(1,3-thiazolin-2-yl)vinyl)-1,3-dichlorobenzene

Structural Information

Molecular Formula
C11H9Cl2NS
SMILES
C1CSC(=N1)/C=C\C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2NS/c12-9-3-1-8(10(13)7-9)2-4-11-14-5-6-15-11/h1-4,7H,5-6H2/b4-2-
InChIKey
AOBYEIFLFURVQY-RQOWECAXSA-N
Compound name
2-[(Z)-2-(2,4-dichlorophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99056 153.9
[M+Na]+ 279.97250 164.5
[M-H]- 255.97600 159.1
[M+NH4]+ 275.01710 173.4
[M+K]+ 295.94644 157.5
[M+H-H2O]+ 239.98054 148.4
[M+HCOO]- 301.98148 162.6
[M+CH3COO]- 315.99713 166.3
[M+Na-2H]- 277.95795 153.7
[M]+ 256.98273 156.8
[M]- 256.98383 156.8
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.