CID 353740

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

Structural Information

Molecular Formula
C14H10Cl2N2
SMILES
C1=CC2=C(C3=C1C=CC(=N3)CCl)N=C(C=C2)CCl
InChI
InChI=1S/C14H10Cl2N2/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
VHSRCSBZOPMBPA-UHFFFAOYSA-N
Compound name
2,9-bis(chloromethyl)-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

276.0221 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02938 156.0
[M+Na]+ 299.01132 168.9
[M-H]- 275.01482 158.2
[M+NH4]+ 294.05592 173.3
[M+K]+ 314.98526 161.0
[M+H-H2O]+ 259.01936 148.5
[M+HCOO]- 321.02030 167.3
[M+CH3COO]- 335.03595 168.3
[M+Na-2H]- 296.99677 165.3
[M]+ 276.02155 161.8
[M]- 276.02265 161.8
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.