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

5
Patents

197.02884 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.036116 133.5
[M+Na]+ 220.018058 145.7
[M-H]- 196.021564 134.3
[M+NH4]+ 215.062663 154.3
[M+K]+ 235.991998 142.0
[M+H-H2O]+ 180.026100 126.4
[M+HCOO]- 242.027041 154.9
[M+CH3COO]- 256.042691 181.4
[M+Na-2H]- 218.003506 138.5
[M]+ 197.02829142 133.6
[M]- 197.02938858 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