CID 12719804

Ciproximide

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
C1[C@H]2[C@@]1(C(=O)NC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C11H8ClNO2/c12-7-3-1-6(2-4-7)11-5-8(11)9(14)13-10(11)15/h1-4,8H,5H2,(H,13,14,15)/t8-,11+/m1/s1
InChIKey
YYGANUVABKDFDW-KCJUWKMLSA-N
Compound name
(1R,5S)-1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

345
Patents

221.02435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.031626 145.9
[M+Na]+ 244.013568 158.7
[M-H]- 220.017074 152.0
[M+NH4]+ 239.058173 163.1
[M+K]+ 259.987508 152.4
[M+H-H2O]+ 204.021610 141.1
[M+HCOO]- 266.022551 162.2
[M+CH3COO]- 280.038201 159.1
[M+Na-2H]- 241.999016 150.7
[M]+ 221.02380142 149.1
[M]- 221.02489858 149.1
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.