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]+ 241.052706 157.3
[M+Na]+ 263.034648 169.1
[M-H]- 239.038154 163.9
[M+NH4]+ 258.079253 174.2
[M+K]+ 279.008588 161.4
[M+H-H2O]+ 223.042690 144.1
[M+HCOO]- 285.043631 176.1
[M+CH3COO]- 299.059281 169.0
[M+Na-2H]- 261.020096 163.0
[M]+ 240.04488142 154.2
[M]- 240.04597858 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.