CID 219391

4,7-dichloro-1,10-phenanthroline

Structural Information

Molecular Formula
C12H6Cl2N2
SMILES
C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Cl)Cl
InChI
InChI=1S/C12H6Cl2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H
InChIKey
GIEQBYJCGYHHSU-UHFFFAOYSA-N
Compound name
4,7-dichloro-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

280
Patents

247.9908 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99808 146.6
[M+Na]+ 270.98002 160.4
[M-H]- 246.98352 149.1
[M+NH4]+ 266.02462 165.0
[M+K]+ 286.95396 153.0
[M+H-H2O]+ 230.98806 139.6
[M+HCOO]- 292.98900 158.6
[M+CH3COO]- 307.00465 159.8
[M+Na-2H]- 268.96547 157.0
[M]+ 247.99025 151.8
[M]- 247.99135 151.8
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