CID 12393931

4-bromo-3-methoxyisothiazole

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

12
Patents

192.9197 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.92698 124.4
[M+Na]+ 215.90892 127.1
[M+NH4]+ 210.95352 130.1
[M+K]+ 231.88286 127.6
[M-H]- 191.91242 124.5
[M+Na-2H]- 213.89437 127.5
[M]+ 192.91915 124.0
[M]- 192.92025 124.0
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