CID 616955

10-chloroanthracene-9-carbonitrile

Structural Information

Molecular Formula
C15H8ClN
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)C#N
InChI
InChI=1S/C15H8ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H
InChIKey
HQDVTSKVEUHDSQ-UHFFFAOYSA-N
Compound name
10-chloroanthracene-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.03453 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.041806 155.8
[M+Na]+ 260.023748 171.0
[M-H]- 236.027254 160.7
[M+NH4]+ 255.068353 174.9
[M+K]+ 275.997688 160.5
[M+H-H2O]+ 220.031790 144.0
[M+HCOO]- 282.032731 171.6
[M+CH3COO]- 296.048381 168.1
[M+Na-2H]- 258.009196 163.9
[M]+ 237.03398142 154.5
[M]- 237.03507858 154.5
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