CID 269968

6-chlorophenanthridine

Structural Information

Molecular Formula
C13H8ClN
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C13H8ClN/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
InChIKey
XHZTZKAXCPJABO-UHFFFAOYSA-N
Compound name
6-chlorophenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

213.03453 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04181 140.7
[M+Na]+ 236.02375 153.0
[M-H]- 212.02725 145.2
[M+NH4]+ 231.06835 161.4
[M+K]+ 251.99769 146.4
[M+H-H2O]+ 196.03179 134.1
[M+HCOO]- 258.03273 159.1
[M+CH3COO]- 272.04838 154.8
[M+Na-2H]- 234.00920 152.2
[M]+ 213.03398 144.3
[M]- 213.03508 144.3
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