CID 15020997

5-bromo-4-methylthiazole

Structural Information

Molecular Formula
C4H4BrNS
SMILES
CC1=C(SC=N1)Br
InChI
InChI=1S/C4H4BrNS/c1-3-4(5)7-2-6-3/h2H,1H3
InChIKey
IIMLZWMRQNCPTM-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
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 120.8
[M+Na]+ 199.91399 124.0
[M+NH4]+ 194.95859 127.0
[M+K]+ 215.88793 124.1
[M-H]- 175.91749 121.3
[M+Na-2H]- 197.89944 124.3
[M]+ 176.92422 120.6
[M]- 176.92532 120.6
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

patents stripe