CID 92132890

7-bromo-6-chloro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

Structural Information

Molecular Formula
C7H7BrClN3
SMILES
C1CNC2=NC(=C(C=C2N1)Br)Cl
InChI
InChI=1S/C7H7BrClN3/c8-4-3-5-7(12-6(4)9)11-2-1-10-5/h3,10H,1-2H2,(H,11,12)
InChIKey
AKFAYHHXCAZRDH-UHFFFAOYSA-N
Compound name
7-bromo-6-chloro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.95119 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95847 140.5
[M+Na]+ 269.94041 153.1
[M-H]- 245.94391 141.0
[M+NH4]+ 264.98501 158.4
[M+K]+ 285.91435 138.9
[M+H-H2O]+ 229.94845 140.5
[M+HCOO]- 291.94939 149.5
[M+CH3COO]- 305.96504 153.4
[M+Na-2H]- 267.92586 149.3
[M]+ 246.95064 155.1
[M]- 246.95174 155.1
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.