CID 43124

4-(cyclohexylamino)-4'-fluorobutyrophenone hydrochloride

Structural Information

Molecular Formula
C16H22FNO
SMILES
C1CCC(CC1)NCCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H22FNO/c17-14-10-8-13(9-11-14)16(19)7-4-12-18-15-5-2-1-3-6-15/h8-11,15,18H,1-7,12H2
InChIKey
UGRKMJZWVSTEAR-UHFFFAOYSA-N
Compound name
4-(cyclohexylamino)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.16855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17583 162.4
[M+Na]+ 286.15777 165.1
[M-H]- 262.16127 166.1
[M+NH4]+ 281.20237 178.0
[M+K]+ 302.13171 161.2
[M+H-H2O]+ 246.16581 153.5
[M+HCOO]- 308.16675 181.1
[M+CH3COO]- 322.18240 199.8
[M+Na-2H]- 284.14322 164.2
[M]+ 263.16800 156.5
[M]- 263.16910 156.5
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.