CID 122235386

5-bromo-indolizine-2-carboxylic acid

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC2=CC(=CN2C(=C1)Br)C(=O)O
InChI
InChI=1S/C9H6BrNO2/c10-8-3-1-2-7-4-6(9(12)13)5-11(7)8/h1-5H,(H,12,13)
InChIKey
LBKBAODKECLISV-UHFFFAOYSA-N
Compound name
5-bromoindolizine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95819 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 143.2
[M+Na]+ 261.94741 147.0
[M+NH4]+ 256.99201 147.8
[M+K]+ 277.92135 148.8
[M-H]- 237.95091 142.8
[M+Na-2H]- 259.93286 145.9
[M]+ 238.95764 142.3
[M]- 238.95874 142.3
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.

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No patent data available for this compound.