CID 343261

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

Structural Information

Molecular Formula
C14H11ClN2
SMILES
CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)CCl
InChI
InChI=1S/C14H11ClN2/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
MAOXTEQFAUOMGV-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-9-methyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

242.06108 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06836 150.9
[M+Na]+ 265.05030 163.6
[M-H]- 241.05380 154.0
[M+NH4]+ 260.09490 169.2
[M+K]+ 281.02424 156.6
[M+H-H2O]+ 225.05834 143.0
[M+HCOO]- 287.05928 167.4
[M+CH3COO]- 301.07493 164.0
[M+Na-2H]- 263.03575 161.0
[M]+ 242.06053 155.6
[M]- 242.06163 155.6
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

patents stripe