CID 58728243

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

Structural Information

Molecular Formula
C4H2BrNO3S
SMILES
C1(=C(SN=C1C(=O)O)Br)O
InChI
InChI=1S/C4H2BrNO3S/c5-3-2(7)1(4(8)9)6-10-3/h7H,(H,8,9)
InChIKey
ZWNXYEGFTGWRNY-UHFFFAOYSA-N
Compound name
5-bromo-4-hydroxy-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.89388 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.90116 128.2
[M+Na]+ 245.88310 142.0
[M-H]- 221.88660 132.0
[M+NH4]+ 240.92770 150.1
[M+K]+ 261.85704 130.8
[M+H-H2O]+ 205.89114 129.2
[M+HCOO]- 267.89208 143.5
[M+CH3COO]- 281.90773 177.0
[M+Na-2H]- 243.86855 131.9
[M]+ 222.89333 148.2
[M]- 222.89443 148.2
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