CID 15111478

2-(bromomethyl)-1,3-thiazole hydrobromide

Structural Information

Molecular Formula
C4H4BrNS
SMILES
C1=CSC(=N1)CBr
InChI
InChI=1S/C4H4BrNS/c5-3-4-6-1-2-7-4/h1-2H,3H2
InChIKey
VMJOGHYLJSXTDW-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

304
Patents

176.92477 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.93205 119.3
[M+Na]+ 199.91399 133.4
[M-H]- 175.91749 125.4
[M+NH4]+ 194.95859 144.5
[M+K]+ 215.88793 123.2
[M+H-H2O]+ 159.92203 120.4
[M+HCOO]- 221.92297 138.0
[M+CH3COO]- 235.93862 174.3
[M+Na-2H]- 197.89944 126.1
[M]+ 176.92422 139.7
[M]- 176.92532 139.7
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