CID 6474282

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

Structural Information

Molecular Formula
C11H10ClNS
SMILES
C1CSC(=N1)/C=C\C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClNS/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-6H,7-8H2/b6-3-
InChIKey
MKKOSAUMIROTKP-UTCJRWHESA-N
Compound name
2-[(Z)-2-(4-chlorophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.02225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.029526 147.1
[M+Na]+ 246.011468 156.8
[M-H]- 222.014974 152.8
[M+NH4]+ 241.056073 167.5
[M+K]+ 261.985408 151.0
[M+H-H2O]+ 206.019510 141.0
[M+HCOO]- 268.020451 161.1
[M+CH3COO]- 282.036101 160.2
[M+Na-2H]- 243.996916 148.5
[M]+ 223.02170142 148.9
[M]- 223.02279858 148.9
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.