CID 57475627

132221-51-3

Structural Information

Molecular Formula
C4H4BrNS
SMILES
CC1=C(N=CS1)Br
InChI
InChI=1S/C4H4BrNS/c1-3-4(5)6-2-7-3/h2H,1H3
InChIKey
MGYPKUHNAMYABF-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
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

No literature data available for this compound.

Patent stripe

patents stripe