CID 10632581

N-[(4-chlorophenyl)methyl]aniline

Structural Information

Molecular Formula
C13H12ClN
SMILES
C1=CC=C(C=C1)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKey
JCVWTDNFPZCYRM-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
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 145.8
[M+Na]+ 240.05505 153.9
[M-H]- 216.05855 152.3
[M+NH4]+ 235.09965 164.8
[M+K]+ 256.02899 148.1
[M+H-H2O]+ 200.06309 139.4
[M+HCOO]- 262.06403 167.0
[M+CH3COO]- 276.07968 159.0
[M+Na-2H]- 238.04050 153.6
[M]+ 217.06528 146.4
[M]- 217.06638 146.4
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