CID 9454255

4-bromo-5-formyl-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
CN1C(=CC(=C1C=O)Br)C(=O)O
InChI
InChI=1S/C7H6BrNO3/c1-9-5(7(11)12)2-4(8)6(9)3-10/h2-3H,1H3,(H,11,12)
InChIKey
HGBXJHMKEDXJRY-UHFFFAOYSA-N
Compound name
4-bromo-5-formyl-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.95311 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 144.1
[M+Na]+ 253.94233 145.6
[M+NH4]+ 248.98693 147.0
[M+K]+ 269.91627 148.9
[M-H]- 229.94583 141.8
[M+Na-2H]- 251.92778 144.3
[M]+ 230.95256 142.1
[M]- 230.95366 142.1
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.