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

27
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

literature stripe

Patent stripe

patents stripe