CID 83816734

1547081-09-3

Structural Information

Molecular Formula
C4H4BrNS
SMILES
CC1=C(C=NS1)Br
InChI
InChI=1S/C4H4BrNS/c1-3-4(5)2-6-7-3/h2H,1H3
InChIKey
OHMWRIIPIJTGKA-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

176.92477 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.932046 118.7
[M+Na]+ 199.913988 133.7
[M-H]- 175.917494 125.2
[M+NH4]+ 194.958593 144.2
[M+K]+ 215.887928 123.4
[M+H-H2O]+ 159.922030 120.0
[M+HCOO]- 221.922971 137.3
[M+CH3COO]- 235.938621 175.3
[M+Na-2H]- 197.899436 124.9
[M]+ 176.92422142 139.5
[M]- 176.92531858 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