CID 5218950

N-(9-anthracenylmethylene)-4-chloroaniline

Structural Information

Molecular Formula
C21H14ClN
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H14ClN/c22-17-9-11-18(12-10-17)23-14-21-19-7-3-1-5-15(19)13-16-6-2-4-8-20(16)21/h1-14H
InChIKey
GEDARKPRBPDLKI-UHFFFAOYSA-N
Compound name
1-anthracen-9-yl-N-(4-chlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.08148 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08876 172.5
[M+Na]+ 338.07070 183.3
[M-H]- 314.07420 182.1
[M+NH4]+ 333.11530 190.2
[M+K]+ 354.04464 174.8
[M+H-H2O]+ 298.07874 163.7
[M+HCOO]- 360.07968 193.2
[M+CH3COO]- 374.09533 185.0
[M+Na-2H]- 336.05615 181.7
[M]+ 315.08093 176.5
[M]- 315.08203 176.5
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

No patent data available for this compound.