CID 30468

Cis-2-(2,6-dichlorophenoxy)cyclopropylamine hydrochloride

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1[C@H]([C@H]1OC2=C(C=CC=C2Cl)Cl)N
InChI
InChI=1S/C9H9Cl2NO/c10-5-2-1-3-6(11)9(5)13-8-4-7(8)12/h1-3,7-8H,4,12H2/t7-,8+/m1/s1
InChIKey
AYILJJPQFZUDKH-SFYZADRCSA-N
Compound name
(1R,2S)-2-(2,6-dichlorophenoxy)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.00612 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 138.5
[M+Na]+ 239.99534 154.1
[M+NH4]+ 235.03994 148.7
[M+K]+ 255.96928 148.1
[M-H]- 215.99884 149.2
[M+Na-2H]- 237.98079 149.0
[M]+ 217.00557 145.4
[M]- 217.00667 145.4
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

No patent data available for this compound.