CID 58191

101198-02-1

Structural Information

Molecular Formula
C17H19Cl2N
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(CCl)Cl
InChI
InChI=1S/C17H19Cl2N/c18-11-17(19)14-20(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKey
BMNAFIWAJIHBJH-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2,3-dichloropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08945 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.096726 171.1
[M+Na]+ 330.078668 176.7
[M-H]- 306.082174 177.0
[M+NH4]+ 325.123273 187.0
[M+K]+ 346.052608 170.3
[M+H-H2O]+ 290.086710 163.9
[M+HCOO]- 352.087651 185.2
[M+CH3COO]- 366.103301 208.1
[M+Na-2H]- 328.064116 174.5
[M]+ 307.08890142 174.7
[M]- 307.08999858 174.7
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.