CID 3629787

N-(2-chlorobenzylidene)-4-cyanoaniline

Structural Information

Molecular Formula
C14H9ClN2
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C#N)Cl
InChI
InChI=1S/C14H9ClN2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-8,10H
InChIKey
LUTCSCDTGRNEDZ-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.04543 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05271 157.3
[M+Na]+ 263.03465 169.1
[M-H]- 239.03815 163.9
[M+NH4]+ 258.07925 174.2
[M+K]+ 279.00859 161.4
[M+H-H2O]+ 223.04269 144.1
[M+HCOO]- 285.04363 176.1
[M+CH3COO]- 299.05928 169.0
[M+Na-2H]- 261.02010 163.0
[M]+ 240.04488 154.2
[M]- 240.04598 154.2
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.