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]+ 237.91681 131.8
[M+Na]+ 259.89875 145.7
[M-H]- 235.90225 136.8
[M+NH4]+ 254.94335 154.0
[M+K]+ 275.87269 135.2
[M+H-H2O]+ 219.90679 132.5
[M+HCOO]- 281.90773 148.2
[M+CH3COO]- 295.92338 182.1
[M+Na-2H]- 257.88420 135.5
[M]+ 236.90898 154.0
[M]- 236.91008 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.