CID 28799790

(1r)-1-(3,4-dichlorophenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H11Cl2N
SMILES
CC[C@H](C1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C9H11Cl2N/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2,12H2,1H3/t9-/m1/s1
InChIKey
VBWRNUHVGFPJRG-SECBINFHSA-N
Compound name
(1R)-1-(3,4-dichlorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

203.02686 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03414 141.0
[M+Na]+ 226.01608 150.3
[M-H]- 202.01958 143.7
[M+NH4]+ 221.06068 161.2
[M+K]+ 241.99002 144.9
[M+H-H2O]+ 186.02412 137.3
[M+HCOO]- 248.02506 155.2
[M+CH3COO]- 262.04071 187.1
[M+Na-2H]- 224.00153 144.4
[M]+ 203.02631 142.3
[M]- 203.02741 142.3
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