CID 465472

5-chloropyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H3ClN2O2
SMILES
C1=C(N=CC(=N1)Cl)C(=O)O
InChI
InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)
InChIKey
FXJOTWLLDJYKAG-UHFFFAOYSA-N
Compound name
5-chloropyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1389
Patents

157.98831 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99559 124.6
[M+Na]+ 180.97753 134.9
[M-H]- 156.98103 124.6
[M+NH4]+ 176.02213 143.0
[M+K]+ 196.95147 131.8
[M+H-H2O]+ 140.98557 118.8
[M+HCOO]- 202.98651 141.4
[M+CH3COO]- 217.00216 171.0
[M+Na-2H]- 178.96298 132.2
[M]+ 157.98776 125.9
[M]- 157.98886 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe