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

3
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

literature stripe

Patent stripe

patents stripe