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]+ 214.042266 138.3
[M+Na]+ 236.024208 149.7
[M-H]- 212.027714 136.1
[M+NH4]+ 231.068813 155.3
[M+K]+ 251.998148 146.4
[M+H-H2O]+ 196.032250 129.3
[M+HCOO]- 258.033191 156.4
[M+CH3COO]- 272.048841 183.8
[M+Na-2H]- 234.009656 143.2
[M]+ 213.03444142 138.1
[M]- 213.03553858 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.