CID 525694

3-chloro-n-(4-methoxybenzylidene)aniline

Structural Information

Molecular Formula
C14H12ClNO
SMILES
COC1=CC=C(C=C1)C=NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H12ClNO/c1-17-14-7-5-11(6-8-14)10-16-13-4-2-3-12(15)9-13/h2-10H,1H3
InChIKey
XLMKRSJLQSKDCV-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-1-(4-methoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.06075 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 152.8
[M+Na]+ 268.04997 162.1
[M-H]- 244.05347 161.0
[M+NH4]+ 263.09457 171.6
[M+K]+ 284.02391 157.1
[M+H-H2O]+ 228.05801 145.8
[M+HCOO]- 290.05895 175.6
[M+CH3COO]- 304.07460 196.0
[M+Na-2H]- 266.03542 159.7
[M]+ 245.06020 156.7
[M]- 245.06130 156.7
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.