CID 86619524

6-bromo-5-chloropyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H2BrClN2O2
SMILES
C1=C(N=C(C(=N1)Cl)Br)C(=O)O
InChI
InChI=1S/C5H2BrClN2O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H,10,11)
InChIKey
JUYYXLOQLBQRCE-UHFFFAOYSA-N
Compound name
6-bromo-5-chloropyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

235.89882 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.90610 130.5
[M+Na]+ 258.88804 144.9
[M-H]- 234.89154 133.8
[M+NH4]+ 253.93264 149.9
[M+K]+ 274.86198 132.7
[M+H-H2O]+ 218.89608 131.1
[M+HCOO]- 280.89702 145.3
[M+CH3COO]- 294.91267 182.7
[M+Na-2H]- 256.87349 138.9
[M]+ 235.89827 150.8
[M]- 235.89937 150.8
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