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]+ 224.02953 147.1
[M+Na]+ 246.01147 156.8
[M-H]- 222.01497 152.8
[M+NH4]+ 241.05607 167.5
[M+K]+ 261.98541 151.0
[M+H-H2O]+ 206.01951 141.0
[M+HCOO]- 268.02045 161.1
[M+CH3COO]- 282.03610 160.2
[M+Na-2H]- 243.99692 148.5
[M]+ 223.02170 148.9
[M]- 223.02280 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.