CID 57827466

5-(2,2-difluoroethoxy)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H6F2N2O3
SMILES
C1=C(N=CC(=N1)OCC(F)F)C(=O)O
InChI
InChI=1S/C7H6F2N2O3/c8-5(9)3-14-6-2-10-4(1-11-6)7(12)13/h1-2,5H,3H2,(H,12,13)
InChIKey
PBJZKVWVDFJTRA-UHFFFAOYSA-N
Compound name
5-(2,2-difluoroethoxy)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

204.03465 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04193 137.0
[M+Na]+ 227.02387 145.4
[M-H]- 203.02737 134.1
[M+NH4]+ 222.06847 152.3
[M+K]+ 242.99781 143.8
[M+H-H2O]+ 187.03191 128.0
[M+HCOO]- 249.03285 154.8
[M+CH3COO]- 263.04850 181.6
[M+Na-2H]- 225.00932 141.6
[M]+ 204.03410 135.7
[M]- 204.03520 135.7
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