CID 485438

90390-20-8

Structural Information

Molecular Formula
C10H13Cl2N
SMILES
CCCNCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H13Cl2N/c1-2-5-13-7-8-3-4-9(11)10(12)6-8/h3-4,6,13H,2,5,7H2,1H3
InChIKey
HFUMKYDRGJLTFH-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

217.04251 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04979 145.3
[M+Na]+ 240.03173 154.4
[M-H]- 216.03523 148.1
[M+NH4]+ 235.07633 165.3
[M+K]+ 256.00567 148.6
[M+H-H2O]+ 200.03977 141.1
[M+HCOO]- 262.04071 160.7
[M+CH3COO]- 276.05636 189.9
[M+Na-2H]- 238.01718 150.4
[M]+ 217.04196 148.5
[M]- 217.04306 148.5
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