CID 4610770

4-chloro-n-[(4-methoxyphenyl)methyl]aniline

Structural Information

Molecular Formula
C14H14ClNO
SMILES
COC1=CC=C(C=C1)CNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3
InChIKey
HJXWKUCABPCBMP-UHFFFAOYSA-N
Compound name
4-chloro-N-[(4-methoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.07639 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 154.2
[M+Na]+ 270.06561 170.1
[M+NH4]+ 265.11021 164.1
[M+K]+ 286.03955 160.7
[M-H]- 246.06911 160.3
[M+Na-2H]- 268.05106 164.8
[M]+ 247.07584 158.7
[M]- 247.07694 158.7
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

patents stripe