CID 46357

64011-90-1

Structural Information

Molecular Formula
C15H9ClN2
SMILES
CC1=CC2=C(C3=C(C=C(C=C3)C#N)N=C2C=C1)Cl
InChI
InChI=1S/C15H9ClN2/c1-9-2-5-13-12(6-9)15(16)11-4-3-10(8-17)7-14(11)18-13/h2-7H,1H3
InChIKey
WIIIOVLUEGGVBI-UHFFFAOYSA-N
Compound name
9-chloro-7-methylacridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.04543 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05271 158.3
[M+Na]+ 275.03465 173.7
[M-H]- 251.03815 161.8
[M+NH4]+ 270.07925 175.7
[M+K]+ 291.00859 163.7
[M+H-H2O]+ 235.04269 145.3
[M+HCOO]- 297.04363 172.7
[M+CH3COO]- 311.05928 170.1
[M+Na-2H]- 273.02010 165.8
[M]+ 252.04488 157.5
[M]- 252.04598 157.5
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.