CID 58107318

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

Structural Information

Molecular Formula
C4H4BrNOS
SMILES
COC1=CSC(=N1)Br
InChI
InChI=1S/C4H4BrNOS/c1-7-3-2-8-4(5)6-3/h2H,1H3
InChIKey
OYZSBVWESQQMCK-UHFFFAOYSA-N
Compound name
2-bromo-4-methoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.9197 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe