CID 12208296

2-(4-bromophenyl)-4-(chloromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C10H7BrClNS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CCl)Br
InChI
InChI=1S/C10H7BrClNS/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10/h1-4,6H,5H2
InChIKey
IPQIHPFSKRRXPT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4-(chloromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

286.9171 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.92438 145.6
[M+Na]+ 309.90632 151.3
[M+NH4]+ 304.95092 152.2
[M+K]+ 325.88026 149.1
[M-H]- 285.90982 148.4
[M+Na-2H]- 307.89177 151.2
[M]+ 286.91655 146.8
[M]- 286.91765 146.8
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

patents stripe