CID 72213592

3-bromo-8-chloro-1,7-naphthyridine

Structural Information

Molecular Formula
C8H4BrClN2
SMILES
C1=CN=C(C2=NC=C(C=C21)Br)Cl
InChI
InChI=1S/C8H4BrClN2/c9-6-3-5-1-2-11-8(10)7(5)12-4-6/h1-4H
InChIKey
DSPVDMUXVYEYPP-UHFFFAOYSA-N
Compound name
3-bromo-8-chloro-1,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

241.92464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.931916 136.1
[M+Na]+ 264.913858 151.2
[M-H]- 240.917364 141.2
[M+NH4]+ 259.958463 157.1
[M+K]+ 280.887798 138.3
[M+H-H2O]+ 224.921900 136.4
[M+HCOO]- 286.922841 151.6
[M+CH3COO]- 300.938491 151.9
[M+Na-2H]- 262.899306 147.4
[M]+ 241.92409142 156.8
[M]- 241.92518858 156.8
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