CID 13228663

5-bromo-2-methylthiazole

Structural Information

Molecular Formula
C4H4BrNS
SMILES
CC1=NC=C(S1)Br
InChI
InChI=1S/C4H4BrNS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKey
HMVGGGOWCWNMNY-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

625
Patents

176.92477 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.93205 118.7
[M+Na]+ 199.91399 133.7
[M-H]- 175.91749 125.2
[M+NH4]+ 194.95859 144.2
[M+K]+ 215.88793 123.4
[M+H-H2O]+ 159.92203 120.0
[M+HCOO]- 221.92297 137.3
[M+CH3COO]- 235.93862 175.3
[M+Na-2H]- 197.89944 124.9
[M]+ 176.92422 139.5
[M]- 176.92532 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe