CID 45496336

1204296-56-9

Structural Information

Molecular Formula
C10H6BrNO3S
SMILES
C1=C(C(=O)NC(=C1)C2=CC=C(S2)Br)C(=O)O
InChI
InChI=1S/C10H6BrNO3S/c11-8-4-3-7(16-8)6-2-1-5(10(14)15)9(13)12-6/h1-4H,(H,12,13)(H,14,15)
InChIKey
IHJZRWLLRXWDAI-UHFFFAOYSA-N
Compound name
6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.92517 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.93245 147.9
[M+Na]+ 321.91439 150.6
[M+NH4]+ 316.95899 151.6
[M+K]+ 337.88833 151.9
[M-H]- 297.91789 147.9
[M+Na-2H]- 319.89984 150.7
[M]+ 298.92462 147.3
[M]- 298.92572 147.3
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.