CID 131018836

4-bromo-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C5H4BrNO2
SMILES
C1=C(C(=CN1)Br)C(=O)O
InChI
InChI=1S/C5H4BrNO2/c6-4-2-7-1-3(4)5(8)9/h1-2,7H,(H,8,9)
InChIKey
WSYRYGLBZIGMFR-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.94254 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.94982 130.7
[M+Na]+ 211.93176 142.9
[M-H]- 187.93526 133.7
[M+NH4]+ 206.97636 153.0
[M+K]+ 227.90570 132.0
[M+H-H2O]+ 171.93980 131.2
[M+HCOO]- 233.94074 150.3
[M+CH3COO]- 247.95639 173.1
[M+Na-2H]- 209.91721 136.7
[M]+ 188.94199 147.1
[M]- 188.94309 147.1
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.