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]+ 211.89308 124.2
[M+Na]+ 233.87502 140.0
[M-H]- 209.87852 130.6
[M+NH4]+ 228.91962 149.3
[M+K]+ 249.84896 127.8
[M+H-H2O]+ 193.88306 126.1
[M+HCOO]- 255.88400 138.4
[M+CH3COO]- 269.89965 178.9
[M+Na-2H]- 231.86047 130.1
[M]+ 210.88525 146.4
[M]- 210.88635 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