CID 485425

N-ethyl-2,4-dichlorobenzylamine

Structural Information

Molecular Formula
C9H11Cl2N
SMILES
CCNCC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2N/c1-2-12-6-7-3-4-8(10)5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKey
MAJQQCVMLVPMIW-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

203.02686 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03414 140.6
[M+Na]+ 226.01608 150.2
[M-H]- 202.01958 143.7
[M+NH4]+ 221.06068 161.2
[M+K]+ 241.99002 144.6
[M+H-H2O]+ 186.02412 136.7
[M+HCOO]- 248.02506 156.4
[M+CH3COO]- 262.04071 187.0
[M+Na-2H]- 224.00153 146.3
[M]+ 203.02631 143.5
[M]- 203.02741 143.5
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.