CID 4961959

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

Structural Information

Molecular Formula
C10H7BrClNS
SMILES
C1=CC(=CC(=C1)Br)C2=NC(=CS2)CCl
InChI
InChI=1S/C10H7BrClNS/c11-8-3-1-2-7(4-8)10-13-9(5-12)6-14-10/h1-4,6H,5H2
InChIKey
ATQRRFWNSXNVMD-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-4-(chloromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.5
[M+Na]+ 309.90632 160.0
[M-H]- 285.90982 153.8
[M+NH4]+ 304.95092 166.8
[M+K]+ 325.88026 146.3
[M+H-H2O]+ 269.91436 145.7
[M+HCOO]- 331.91530 158.5
[M+CH3COO]- 345.93095 160.7
[M+Na-2H]- 307.89177 149.1
[M]+ 286.91655 167.3
[M]- 286.91765 167.3
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.