CID 132327559

4-bromo-3-methoxy-1,2-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H4BrNO3S
SMILES
COC1=NSC(=C1Br)C(=O)O
InChI
InChI=1S/C5H4BrNO3S/c1-10-4-2(6)3(5(8)9)11-7-4/h1H3,(H,8,9)
InChIKey
NAPNFCDSGGIFDR-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxy-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.90953 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.916806 131.8
[M+Na]+ 259.898748 145.7
[M-H]- 235.902254 136.8
[M+NH4]+ 254.943353 154.0
[M+K]+ 275.872688 135.2
[M+H-H2O]+ 219.906790 132.5
[M+HCOO]- 281.907731 148.2
[M+CH3COO]- 295.923381 182.1
[M+Na-2H]- 257.884196 135.5
[M]+ 236.90898142 154.0
[M]- 236.91007858 154.0
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

No patent data available for this compound.