CID 736496

4-(chloromethyl)-2-(thiophen-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C8H6ClNS2
SMILES
C1=CSC(=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C8H6ClNS2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4H2
InChIKey
CGJJBHKYGNSTDK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

214.96301 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.97029 141.7
[M+Na]+ 237.95223 155.3
[M-H]- 213.95573 149.1
[M+NH4]+ 232.99683 165.0
[M+K]+ 253.92617 150.1
[M+H-H2O]+ 197.96027 137.3
[M+HCOO]- 259.96121 154.8
[M+CH3COO]- 273.97686 156.7
[M+Na-2H]- 235.93768 141.4
[M]+ 214.96246 148.1
[M]- 214.96356 148.1
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

patents stripe