CID 13984881

3-[(4-chlorophenyl)methyl]aniline

Structural Information

Molecular Formula
C13H12ClN
SMILES
C1=CC(=CC(=C1)N)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h1-7,9H,8,15H2
InChIKey
WBVODIPDOINBAH-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.06583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07311 146.6
[M+Na]+ 240.05505 162.9
[M+NH4]+ 235.09965 157.1
[M+K]+ 256.02899 153.4
[M-H]- 216.05855 153.0
[M+Na-2H]- 238.04050 157.5
[M]+ 217.06528 151.3
[M]- 217.06638 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.