CID 71013

9-chloroacridine

Structural Information

Molecular Formula
C13H8ClN
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Cl
InChI
InChI=1S/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey
BPXINCHFOLVVSG-UHFFFAOYSA-N
Compound name
9-chloroacridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

491
Patents

213.03453 Da
Monoisotopic Mass

4.2
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