CID 59589444

5-(bromomethyl)-4-chloro-1,3-thiazole hydrobromide

Structural Information

Molecular Formula
C4H3BrClNS
SMILES
C1=NC(=C(S1)CBr)Cl
InChI
InChI=1S/C4H3BrClNS/c5-1-3-4(6)7-2-8-3/h2H,1H2
InChIKey
UZOYFRYWWVKMAD-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-4-chloro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

210.8858 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.893076 124.2
[M+Na]+ 233.875018 140.0
[M-H]- 209.878524 130.6
[M+NH4]+ 228.919623 149.3
[M+K]+ 249.848958 127.8
[M+H-H2O]+ 193.883060 126.1
[M+HCOO]- 255.884001 138.4
[M+CH3COO]- 269.899651 178.9
[M+Na-2H]- 231.860466 130.1
[M]+ 210.88525142 146.4
[M]- 210.88634858 146.4
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