CID 3610827

4-(3,4-dichlorophenyl)benzylamine hydrochloride

Structural Information

Molecular Formula
C13H11Cl2N
SMILES
C1=CC(=CC=C1CN)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2N/c14-12-6-5-11(7-13(12)15)10-3-1-9(8-16)2-4-10/h1-7H,8,16H2
InChIKey
GEVZIDWDKPIZKH-UHFFFAOYSA-N
Compound name
[4-(3,4-dichlorophenyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.02686 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03414 153.1
[M+Na]+ 274.01608 163.4
[M-H]- 250.01958 158.9
[M+NH4]+ 269.06068 171.4
[M+K]+ 289.99002 156.1
[M+H-H2O]+ 234.02412 147.8
[M+HCOO]- 296.02506 168.5
[M+CH3COO]- 310.04071 165.8
[M+Na-2H]- 272.00153 157.5
[M]+ 251.02631 154.8
[M]- 251.02741 154.8
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

patents stripe