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]+ 221.92189 127.5
[M+Na]+ 243.90383 142.6
[M-H]- 219.90733 134.0
[M+NH4]+ 238.94843 151.3
[M+K]+ 259.87777 132.2
[M+H-H2O]+ 203.91187 128.4
[M+HCOO]- 265.91281 146.3
[M+CH3COO]- 279.92846 181.9
[M+Na-2H]- 241.88928 132.7
[M]+ 220.91406 150.8
[M]- 220.91516 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.