CID 964630

4-chloro-n-(2-methoxybenzylidene)aniline

Structural Information

Molecular Formula
C14H12ClNO
SMILES
COC1=CC=CC=C1C=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO/c1-17-14-5-3-2-4-11(14)10-16-13-8-6-12(15)7-9-13/h2-10H,1H3
InChIKey
QINIOCVAXWPSFD-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06075 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.068026 152.8
[M+Na]+ 268.049968 162.1
[M-H]- 244.053474 161.0
[M+NH4]+ 263.094573 171.6
[M+K]+ 284.023908 157.1
[M+H-H2O]+ 228.058010 145.8
[M+HCOO]- 290.058951 175.6
[M+CH3COO]- 304.074601 196.0
[M+Na-2H]- 266.035416 159.7
[M]+ 245.06020142 156.7
[M]- 245.06129858 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.