CID 46223

Brn 2693280

Structural Information

Molecular Formula
C11H15Cl2N
SMILES
CCN(CCCl)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H15Cl2N/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKey
DQVHBIDSEFMVEU-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-chlorophenyl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05815 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06543 150.0
[M+Na]+ 254.04737 158.0
[M-H]- 230.05087 153.9
[M+NH4]+ 249.09197 169.8
[M+K]+ 270.02131 153.2
[M+H-H2O]+ 214.05541 145.1
[M+HCOO]- 276.05635 165.7
[M+CH3COO]- 290.07200 195.2
[M+Na-2H]- 252.03282 154.6
[M]+ 231.05760 154.6
[M]- 231.05870 154.6
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.