CID 343262

[2brme-9me-neocuproine]2 cu+

Structural Information

Molecular Formula
C14H11BrN2
SMILES
CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)CBr
InChI
InChI=1S/C14H11BrN2/c1-9-2-3-10-4-5-11-6-7-12(8-15)17-14(11)13(10)16-9/h2-7H,8H2,1H3
InChIKey
GPURSUXESGDBGT-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-9-methyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

286.01056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.01784 155.3
[M+Na]+ 308.99978 169.6
[M-H]- 285.00328 161.4
[M+NH4]+ 304.04438 174.8
[M+K]+ 324.97372 156.9
[M+H-H2O]+ 269.00782 154.1
[M+HCOO]- 331.00876 174.3
[M+CH3COO]- 345.02441 170.0
[M+Na-2H]- 306.98523 166.6
[M]+ 286.01001 176.4
[M]- 286.01111 176.4
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.