CID 145915506

4-(2-bromoethynyl)-3-methyl-1,2-thiazole

Structural Information

Molecular Formula
C6H4BrNS
SMILES
CC1=NSC=C1C#CBr
InChI
InChI=1S/C6H4BrNS/c1-5-6(2-3-7)4-9-8-5/h4H,1H3
InChIKey
VBMWEQVMMWADEX-UHFFFAOYSA-N
Compound name
4-(2-bromoethynyl)-3-methyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.92477 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.93205 126.8
[M+Na]+ 223.91399 143.3
[M-H]- 199.91749 130.7
[M+NH4]+ 218.95859 148.8
[M+K]+ 239.88793 131.9
[M+H-H2O]+ 183.92203 121.5
[M+HCOO]- 245.92297 141.9
[M+CH3COO]- 259.93862 187.1
[M+Na-2H]- 221.89944 131.4
[M]+ 200.92422 140.6
[M]- 200.92532 140.6
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.