CID 62941980

2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C8H6ClNS2
SMILES
CC1=CC=C(S1)C2=CSC(=N2)Cl
InChI
InChI=1S/C8H6ClNS2/c1-5-2-3-7(12-5)6-4-11-8(9)10-6/h2-4H,1H3
InChIKey
MKAHXZUMVLHDID-UHFFFAOYSA-N
Compound name
2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.96301 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.97029 142.6
[M+Na]+ 237.95223 156.7
[M+NH4]+ 232.99683 153.5
[M+K]+ 253.92617 148.3
[M-H]- 213.95573 147.0
[M+Na-2H]- 235.93768 149.5
[M]+ 214.96246 147.2
[M]- 214.96356 147.2
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.