CID 8006661

3-[(4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C12H8FN3O3
SMILES
C1=CC(=CC=C1NC(=O)C2=NC=CN=C2C(=O)O)F
InChI
InChI=1S/C12H8FN3O3/c13-7-1-3-8(4-2-7)16-11(17)9-10(12(18)19)15-6-5-14-9/h1-6H,(H,16,17)(H,18,19)
InChIKey
QJQDVJKGLKSDJS-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06224 154.3
[M+Na]+ 284.04418 162.2
[M-H]- 260.04768 156.3
[M+NH4]+ 279.08878 166.8
[M+K]+ 300.01812 158.5
[M+H-H2O]+ 244.05222 144.6
[M+HCOO]- 306.05316 174.2
[M+CH3COO]- 320.06881 194.6
[M+Na-2H]- 282.02963 159.2
[M]+ 261.05441 152.4
[M]- 261.05551 152.4
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.