CID 29857

N-(2-bromoethyl)-p-chloro-n-ethylbenzylamine

Structural Information

Molecular Formula
C11H15BrClN
SMILES
CCN(CCBr)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H15BrClN/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKey
ULPCVUWMPUNJQU-UHFFFAOYSA-N
Compound name
2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.00763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01491 152.8
[M+Na]+ 297.99685 156.9
[M+NH4]+ 293.04145 158.7
[M+K]+ 313.97079 154.7
[M-H]- 274.00035 154.9
[M+Na-2H]- 295.98230 157.2
[M]+ 275.00708 153.1
[M]- 275.00818 153.1
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.