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

34
Patents

195.00871 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01599 135.4
[M+Na]+ 217.99793 147.4
[M-H]- 194.00143 138.3
[M+NH4]+ 213.04253 156.9
[M+K]+ 233.97187 142.7
[M+H-H2O]+ 178.00597 130.5
[M+HCOO]- 240.00691 154.3
[M+CH3COO]- 254.02256 178.6
[M+Na-2H]- 215.98338 141.7
[M]+ 195.00816 139.2
[M]- 195.00926 139.3
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

patents stripe