CID 38537

O-bromo-n-(3-chloropropyl)benzylamine hydrochloride

Structural Information

Molecular Formula
C10H13BrClN
SMILES
C1=CC=C(C(=C1)CNCCCCl)Br
InChI
InChI=1S/C10H13BrClN/c11-10-5-2-1-4-9(10)8-13-7-3-6-12/h1-2,4-5,13H,3,6-8H2
InChIKey
QJVHEEGPFAZXRO-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-3-chloropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.992 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99928 148.8
[M+Na]+ 283.98122 160.0
[M-H]- 259.98472 154.6
[M+NH4]+ 279.02582 170.0
[M+K]+ 299.95516 146.4
[M+H-H2O]+ 243.98926 149.1
[M+HCOO]- 305.99020 167.0
[M+CH3COO]- 320.00585 193.9
[M+Na-2H]- 281.96667 156.5
[M]+ 260.99145 169.0
[M]- 260.99255 169.0
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.