CID 3041175

1-(2,4-dichlorophenyl)propan-2-amine

Structural Information

Molecular Formula
C9H11Cl2N
SMILES
CC(CC1=C(C=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4,12H2,1H3
InChIKey
WFXOKSCQUWGEEH-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

203.02686 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03414 140.2
[M+Na]+ 226.01608 154.3
[M+NH4]+ 221.06068 149.9
[M+K]+ 241.99002 146.5
[M-H]- 202.01958 143.4
[M+Na-2H]- 224.00153 147.5
[M]+ 203.02631 143.8
[M]- 203.02741 143.8
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

patents stripe