CID 836509

N-(2,3-dichlorophenyl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C13H15Cl2NO
SMILES
C1CCC(CC1)C(=O)NC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C13H15Cl2NO/c14-10-7-4-8-11(12(10)15)16-13(17)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKey
ZYPWKRVXNGLEMU-UHFFFAOYSA-N
Compound name
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

271.05307 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06035 159.5
[M+Na]+ 294.04229 165.7
[M-H]- 270.04579 164.6
[M+NH4]+ 289.08689 176.6
[M+K]+ 310.01623 159.8
[M+H-H2O]+ 254.05033 153.9
[M+HCOO]- 316.05127 170.7
[M+CH3COO]- 330.06692 196.8
[M+Na-2H]- 292.02774 161.4
[M]+ 271.05252 157.5
[M]- 271.05362 157.5
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