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]+ 218.01340 136.5
[M+Na]+ 239.99534 148.1
[M-H]- 215.99884 143.1
[M+NH4]+ 235.03994 151.5
[M+K]+ 255.96928 142.3
[M+H-H2O]+ 200.00338 131.9
[M+HCOO]- 262.00432 152.6
[M+CH3COO]- 276.01997 190.9
[M+Na-2H]- 237.98079 141.4
[M]+ 217.00557 141.2
[M]- 217.00667 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.