CID 57516587

1185428-32-3

Structural Information

Molecular Formula
C7H4BrN3O
SMILES
C1=C(C2=NC(=CN=C2N1)Br)C=O
InChI
InChI=1S/C7H4BrN3O/c8-5-2-10-7-6(11-5)4(3-12)1-9-7/h1-3H,(H,9,10)
InChIKey
KTQCGYNMGWTOHT-UHFFFAOYSA-N
Compound name
2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

224.95377 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96105 134.9
[M+Na]+ 247.94299 150.2
[M-H]- 223.94649 138.2
[M+NH4]+ 242.98759 155.5
[M+K]+ 263.91693 138.4
[M+H-H2O]+ 207.95103 134.5
[M+HCOO]- 269.95197 155.1
[M+CH3COO]- 283.96762 150.6
[M+Na-2H]- 245.92844 144.8
[M]+ 224.95322 154.9
[M]- 224.95432 154.9
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