CID 96957

N-benzylidene-4-chloroaniline

Structural Information

Molecular Formula
C13H10ClN
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H
InChIKey
NWCAQYVAHZWHIO-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

100
Patents

215.05017 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05745 145.6
[M+Na]+ 238.03939 162.5
[M+NH4]+ 233.08399 156.4
[M+K]+ 254.01333 152.1
[M-H]- 214.04289 152.4
[M+Na-2H]- 236.02484 157.7
[M]+ 215.04962 150.5
[M]- 215.05072 150.5
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