CID 125461911

2-(difluoromethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid

Structural Information

Molecular Formula
C8H5F2N3O2
SMILES
C1=CN2C(=NC(=C2C(=O)O)C(F)F)C=N1
InChI
InChI=1S/C8H5F2N3O2/c9-7(10)5-6(8(14)15)13-2-1-11-3-4(13)12-5/h1-3,7H,(H,14,15)
InChIKey
YJWNCOFFWUJILL-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.03499 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04227 138.3
[M+Na]+ 236.02421 149.7
[M-H]- 212.02771 136.1
[M+NH4]+ 231.06881 155.3
[M+K]+ 251.99815 146.4
[M+H-H2O]+ 196.03225 129.3
[M+HCOO]- 258.03319 156.4
[M+CH3COO]- 272.04884 183.8
[M+Na-2H]- 234.00966 143.2
[M]+ 213.03444 138.1
[M]- 213.03554 138.1
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

No patent data available for this compound.