CID 353741

2,9-bis(bromomethyl)-1,10-phenanthroline

Structural Information

Molecular Formula
C14H10Br2N2
SMILES
C1=CC2=C(C3=C1C=CC(=N3)CBr)N=C(C=C2)CBr
InChI
InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2
InChIKey
DGDBWGQSYCEWHT-UHFFFAOYSA-N
Compound name
2,9-bis(bromomethyl)-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

363.92108 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.92836 152.6
[M+Na]+ 386.91030 164.7
[M-H]- 362.91380 158.9
[M+NH4]+ 381.95490 169.5
[M+K]+ 402.88424 149.3
[M+H-H2O]+ 346.91834 160.4
[M+HCOO]- 408.91928 166.8
[M+CH3COO]- 422.93493 166.1
[M+Na-2H]- 384.89575 162.9
[M]+ 363.92053 188.7
[M]- 363.92163 188.7
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.