CID 130046727

8-chloroindolizine-2-carboxylic acid

Structural Information

Molecular Formula

C₉H₆ClNO₂

SMILES

C1=CN2C=C(C=C2C(=C1)Cl)C(=O)O

InChI

InChI=1S/C9H6ClNO2/c10-7-2-1-3-11-5-6(9(12)13)4-8(7)11/h1-5H,(H,12,13)

InChIKey

AYNHSPFBVUZHEF-UHFFFAOYSA-N

Compound name

8-chloroindolizine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 195.00871 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.01599	135.0
[M+Na]+	217.99793	149.5
[M+NH4]+	213.04253	143.9
[M+K]+	233.97187	144.8
[M-H]-	194.00143	136.2
[M+Na-2H]-	215.98338	141.6
[M]+	195.00816	137.7
[M]-	195.00926	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe