CID 12719804

Cyproximide

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
1
Annotation Hits

0
References

0
Patents

221.02435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03163 145.9
[M+Na]+ 244.01357 158.7
[M-H]- 220.01707 152.0
[M+NH4]+ 239.05817 163.1
[M+K]+ 259.98751 152.4
[M+H-H2O]+ 204.02161 141.1
[M+HCOO]- 266.02255 162.2
[M+CH3COO]- 280.03820 159.1
[M+Na-2H]- 241.99902 150.7
[M]+ 221.02380 149.1
[M]- 221.02490 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.