CID 409810

(4-chlorophenyl)(phenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

217.06583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07311 146.6
[M+Na]+ 240.05505 154.4
[M-H]- 216.05855 152.7
[M+NH4]+ 235.09965 165.3
[M+K]+ 256.02899 148.8
[M+H-H2O]+ 200.06309 140.4
[M+HCOO]- 262.06403 166.2
[M+CH3COO]- 276.07968 159.4
[M+Na-2H]- 238.04050 152.2
[M]+ 217.06528 145.7
[M]- 217.06638 145.7
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