CID 122164163

4-bromo-3-methoxy-1,2-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H4BrNO2S
SMILES
COC1=NSC(=C1Br)C=O
InChI
InChI=1S/C5H4BrNO2S/c1-9-5-4(6)3(2-8)10-7-5/h2H,1H3
InChIKey
MCMOUHUYEOHIOJ-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxy-1,2-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.91461 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.921886 127.5
[M+Na]+ 243.903828 142.6
[M-H]- 219.907334 134.0
[M+NH4]+ 238.948433 151.3
[M+K]+ 259.877768 132.2
[M+H-H2O]+ 203.911870 128.4
[M+HCOO]- 265.912811 146.3
[M+CH3COO]- 279.928461 181.9
[M+Na-2H]- 241.889276 132.7
[M]+ 220.91406142 150.8
[M]- 220.91515858 150.8
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

No patent data available for this compound.