CID 72212645

6-bromopyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H3BrN2O2
SMILES
C1=C(N=C(C=N1)Br)C(=O)O
InChI
InChI=1S/C5H3BrN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)
InChIKey
HKGHXDMQMSAZSQ-UHFFFAOYSA-N
Compound name
6-bromopyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

201.93779 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.94507 127.6
[M+Na]+ 224.92701 140.2
[M-H]- 200.93051 130.7
[M+NH4]+ 219.97161 147.2
[M+K]+ 240.90095 129.9
[M+H-H2O]+ 184.93505 127.4
[M+HCOO]- 246.93599 146.8
[M+CH3COO]- 260.95164 178.0
[M+Na-2H]- 222.91246 136.9
[M]+ 201.93724 145.9
[M]- 201.93834 145.9
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