CID 1549061

Dicyclidine

Structural Information

Molecular Formula
C13H11Cl2NO2
SMILES
C[C@]12C[C@]1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C
InChI
InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3/t12-,13+
InChIKey
QXJKBPAVAHBARF-BETUJISGSA-N
Compound name
(1R,5S)-3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

259
References

36346
Patents

283.0167 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02398 157.2
[M+Na]+ 306.00592 171.7
[M-H]- 282.00942 164.2
[M+NH4]+ 301.05052 175.3
[M+K]+ 321.97986 165.5
[M+H-H2O]+ 266.01396 153.7
[M+HCOO]- 328.01490 168.8
[M+CH3COO]- 342.03055 170.3
[M+Na-2H]- 303.99137 160.5
[M]+ 283.01615 164.7
[M]- 283.01725 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe