CID 4293092

6-chlorobenzo[j]phenanthridine

Structural Information

Molecular Formula
C17H10ClN
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4N=C3Cl
InChI
InChI=1S/C17H10ClN/c18-17-15-10-12-6-2-1-5-11(12)9-14(15)13-7-3-4-8-16(13)19-17/h1-10H
InChIKey
LXDJWXPERRCZRQ-UHFFFAOYSA-N
Compound name
6-chlorobenzo[j]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.05017 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05745 155.2
[M+Na]+ 286.03939 167.9
[M-H]- 262.04289 160.5
[M+NH4]+ 281.08399 174.7
[M+K]+ 302.01333 159.8
[M+H-H2O]+ 246.04743 147.3
[M+HCOO]- 308.04837 171.8
[M+CH3COO]- 322.06402 168.3
[M+Na-2H]- 284.02484 166.6
[M]+ 263.04962 159.2
[M]- 263.05072 159.2
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.