CID 155255314

6,8-difluoroindolizine-2-carboxylic acid

Structural Information

Molecular Formula
C9H5F2NO2
SMILES
C1=C2C(=CC(=CN2C=C1C(=O)O)F)F
InChI
InChI=1S/C9H5F2NO2/c10-6-2-7(11)8-1-5(9(13)14)3-12(8)4-6/h1-4H,(H,13,14)
InChIKey
MLGTTYJOILEVIO-UHFFFAOYSA-N
Compound name
6,8-difluoroindolizine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.02884 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03612 133.5
[M+Na]+ 220.01806 145.7
[M-H]- 196.02156 134.3
[M+NH4]+ 215.06266 154.3
[M+K]+ 235.99200 142.0
[M+H-H2O]+ 180.02610 126.4
[M+HCOO]- 242.02704 154.9
[M+CH3COO]- 256.04269 181.4
[M+Na-2H]- 218.00351 138.5
[M]+ 197.02829 133.6
[M]- 197.02939 133.6
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