CID 45217

Benzyl-3,4-dichlorobenzylamine hydrochloride

Structural Information

Molecular Formula
C14H13Cl2N
SMILES
C1=CC=C(C=C1)CNCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H13Cl2N/c15-13-7-6-12(8-14(13)16)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKey
FPWAPECSISWNRW-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

265.0425 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04978 157.2
[M+Na]+ 288.03172 166.1
[M-H]- 264.03522 162.9
[M+NH4]+ 283.07632 174.9
[M+K]+ 304.00566 158.8
[M+H-H2O]+ 248.03976 151.2
[M+HCOO]- 310.04070 172.8
[M+CH3COO]- 324.05635 169.3
[M+Na-2H]- 286.01717 162.7
[M]+ 265.04195 159.8
[M]- 265.04305 159.8
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