CID 10991348

3,8-dibromo-1,10-phenanthroline

Structural Information

Molecular Formula
C12H6Br2N2
SMILES
C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br
InChI
InChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H
InChIKey
IDWJREBUVYSPKS-UHFFFAOYSA-N
Compound name
3,8-dibromo-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

335.88977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.89705 144.2
[M+Na]+ 358.87899 157.2
[M-H]- 334.88249 150.9
[M+NH4]+ 353.92359 162.1
[M+K]+ 374.85293 142.1
[M+H-H2O]+ 318.88703 152.5
[M+HCOO]- 380.88797 159.1
[M+CH3COO]- 394.90362 158.6
[M+Na-2H]- 356.86444 155.6
[M]+ 335.88922 179.9
[M]- 335.89032 179.9
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