CID 12830247

2-bromo-1,10-phenanthroline

Structural Information

Molecular Formula
C12H7BrN2
SMILES
C1=CC2=C(C3=C(C=C2)C=CC(=N3)Br)N=C1
InChI
InChI=1S/C12H7BrN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
InChIKey
ZRJUDAZGVGIDLP-UHFFFAOYSA-N
Compound name
2-bromo-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

448
Patents

257.97925 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.986526 145.6
[M+Na]+ 280.968468 160.0
[M-H]- 256.971974 151.7
[M+NH4]+ 276.013073 165.9
[M+K]+ 296.942408 147.7
[M+H-H2O]+ 240.976510 144.8
[M+HCOO]- 302.977451 165.3
[M+CH3COO]- 316.993101 160.9
[M+Na-2H]- 278.953916 158.8
[M]+ 257.97870142 165.8
[M]- 257.97979858 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