CID 525718

N-(4-methylbenzylidene)-4-chloroaniline

Structural Information

Molecular Formula
C14H12ClN
SMILES
CC1=CC=C(C=C1)C=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClN/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(15)7-9-14/h2-10H,1H3
InChIKey
SVBOXOCGNZRUGS-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-(4-methylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.06583 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07311 149.5
[M+Na]+ 252.05505 158.9
[M-H]- 228.05855 157.6
[M+NH4]+ 247.09965 169.0
[M+K]+ 268.02899 153.3
[M+H-H2O]+ 212.06309 142.8
[M+HCOO]- 274.06403 172.0
[M+CH3COO]- 288.07968 194.0
[M+Na-2H]- 250.04050 156.4
[M]+ 229.06528 151.9
[M]- 229.06638 151.9
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