CID 53841021

2241128-64-1

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1[C@H]([C@@H]1N)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-6-1-5(2-7(11)3-6)8-4-9(8)12/h1-3,8-9H,4,12H2/t8-,9+/m0/s1
InChIKey
GJBXYYOESOABGQ-DTWKUNHWSA-N
Compound name
(1R,2S)-2-(3,5-dichlorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

201.0112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01848 133.2
[M+Na]+ 224.00042 144.8
[M-H]- 200.00392 139.7
[M+NH4]+ 219.04502 148.8
[M+K]+ 239.97436 138.6
[M+H-H2O]+ 184.00846 128.6
[M+HCOO]- 246.00940 149.1
[M+CH3COO]- 260.02505 189.0
[M+Na-2H]- 221.98587 138.0
[M]+ 201.01065 136.4
[M]- 201.01175 136.4
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