CID 208685

Benzenebutanamide, 3-chloro-4-cyclohexyl-

Structural Information

Molecular Formula
C16H22ClNO
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)CCCC(=O)N)Cl
InChI
InChI=1S/C16H22ClNO/c17-15-11-12(5-4-8-16(18)19)9-10-14(15)13-6-2-1-3-7-13/h9-11,13H,1-8H2,(H2,18,19)
InChIKey
MPBAYDNZKMBCEF-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-cyclohexylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.13898 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14626 167.1
[M+Na]+ 302.12820 171.6
[M-H]- 278.13170 171.9
[M+NH4]+ 297.17280 183.1
[M+K]+ 318.10214 165.9
[M+H-H2O]+ 262.13624 160.3
[M+HCOO]- 324.13718 181.7
[M+CH3COO]- 338.15283 201.3
[M+Na-2H]- 300.11365 167.2
[M]+ 279.13843 164.0
[M]- 279.13953 164.0
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

patents stripe