CID 7130806

2-chloro-n-cyclohexyl-n-[(4-fluorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C15H19ClFNO
SMILES
C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CCl
InChI
InChI=1S/C15H19ClFNO/c16-10-15(19)18(14-4-2-1-3-5-14)11-12-6-8-13(17)9-7-12/h6-9,14H,1-5,10-11H2
InChIKey
NAQMTZNBMPZGQY-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.11392 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12120 164.8
[M+Na]+ 306.10314 169.0
[M-H]- 282.10664 170.0
[M+NH4]+ 301.14774 181.2
[M+K]+ 322.07708 164.8
[M+H-H2O]+ 266.11118 156.6
[M+HCOO]- 328.11212 179.8
[M+CH3COO]- 342.12777 203.2
[M+Na-2H]- 304.08859 165.8
[M]+ 283.11337 162.0
[M]- 283.11447 162.0
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