CID 21750324

930-42-7

Structural Information

Molecular Formula
C4H4BrNS
SMILES
CC1=NSC=C1Br
InChI
InChI=1S/C4H4BrNS/c1-3-4(5)2-7-6-3/h2H,1H3
InChIKey
IXHNFDZCYLIMQS-UHFFFAOYSA-N
Compound name
4-bromo-3-methyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
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

literature stripe

Patent stripe

patents stripe