CID 485437

[(3,4-dichlorophenyl)methyl](ethyl)amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

203.02686 Da
Monoisotopic Mass

3.3
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

literature stripe

Patent stripe

patents stripe