CID 12393931

4-bromo-3-methoxy-1,2-thiazole

Structural Information

Molecular Formula
C4H4BrNOS
SMILES
COC1=NSC=C1Br
InChI
InChI=1S/C4H4BrNOS/c1-7-4-3(5)2-8-6-4/h2H,1H3
InChIKey
LIGXHXQPMKMLHW-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxy-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.9197 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.926976 121.8
[M+Na]+ 215.908918 136.6
[M-H]- 191.912424 128.2
[M+NH4]+ 210.953523 146.6
[M+K]+ 231.882858 126.6
[M+H-H2O]+ 175.916960 122.9
[M+HCOO]- 237.917901 140.7
[M+CH3COO]- 251.933551 177.1
[M+Na-2H]- 213.894366 128.1
[M]+ 192.91915142 143.9
[M]- 192.92024858 143.9
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