CID 9942366

2-bromo-4,5-dimethylthiazole

Structural Information

Molecular Formula
C5H6BrNS
SMILES
CC1=C(SC(=N1)Br)C
InChI
InChI=1S/C5H6BrNS/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey
SOFNZMRISCENSZ-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

190.94043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 125.0
[M+Na]+ 213.92965 128.3
[M+NH4]+ 208.97425 131.1
[M+K]+ 229.90359 128.4
[M-H]- 189.93315 125.6
[M+Na-2H]- 211.91510 128.1
[M]+ 190.93988 124.9
[M]- 190.94098 124.9
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