CID 30468

Dtxsid90943371

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
cis-(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]+ 218.013396 136.5
[M+Na]+ 239.995338 148.1
[M-H]- 215.998844 143.1
[M+NH4]+ 235.039943 151.5
[M+K]+ 255.969278 142.3
[M+H-H2O]+ 200.003380 131.9
[M+HCOO]- 262.004321 152.6
[M+CH3COO]- 276.019971 190.9
[M+Na-2H]- 237.980786 141.4
[M]+ 217.00557142 141.2
[M]- 217.00666858 141.2
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.