CID 75539642

N-[(2-chlorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1CC1(C#N)C(=O)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C12H11ClN2O/c13-10-4-2-1-3-9(10)7-15-11(16)12(8-14)5-6-12/h1-4H,5-7H2,(H,15,16)
InChIKey
YRMKKJHJNIEKFT-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 149.4
[M+Na]+ 257.04520 162.6
[M+NH4]+ 252.08980 156.4
[M+K]+ 273.01914 152.7
[M-H]- 233.04870 152.2
[M+Na-2H]- 255.03065 157.8
[M]+ 234.05543 152.7
[M]- 234.05653 152.7
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.