CID 148335

5-bromo-1,10-phenanthroline

Structural Information

Molecular Formula
C12H7BrN2
SMILES
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)Br
InChI
InChI=1S/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
InChIKey
GWKGPQCKIBRXGW-UHFFFAOYSA-N
Compound name
5-bromo-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

447
Patents

257.97925 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98653 145.6
[M+Na]+ 280.96847 160.0
[M-H]- 256.97197 151.7
[M+NH4]+ 276.01307 165.9
[M+K]+ 296.94241 147.7
[M+H-H2O]+ 240.97651 144.8
[M+HCOO]- 302.97745 165.3
[M+CH3COO]- 316.99310 160.9
[M+Na-2H]- 278.95392 158.8
[M]+ 257.97870 165.8
[M]- 257.97980 165.8
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