CID 222275

6-(chloromethyl)phenanthridine

Structural Information

Molecular Formula
C14H10ClN
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CCl
InChI
InChI=1S/C14H10ClN/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8H,9H2
InChIKey
LIFHMKCDDVTICL-UHFFFAOYSA-N
Compound name
6-(chloromethyl)phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11829
Patents

227.05017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.057446 145.5
[M+Na]+ 250.039388 157.4
[M-H]- 226.042894 149.9
[M+NH4]+ 245.083993 165.6
[M+K]+ 266.013328 150.5
[M+H-H2O]+ 210.047430 138.6
[M+HCOO]- 272.048371 163.5
[M+CH3COO]- 286.064021 159.2
[M+Na-2H]- 248.024836 156.5
[M]+ 227.04962142 149.4
[M]- 227.05071858 149.4
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