CID 43118

4'-fluoro-4-(isopropyl)aminobutyrophenone hydrochloride

Structural Information

Molecular Formula
C13H18FNO
SMILES
CC(C)NCCCC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C13H18FNO/c1-10(2)15-9-3-4-13(16)11-5-7-12(14)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3
InChIKey
YKAHGXLUHMTRRN-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(propan-2-ylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 151.8
[M+Na]+ 246.126458 157.3
[M-H]- 222.129964 153.6
[M+NH4]+ 241.171063 169.7
[M+K]+ 262.100398 154.8
[M+H-H2O]+ 206.134500 144.3
[M+HCOO]- 268.135441 173.4
[M+CH3COO]- 282.151091 194.9
[M+Na-2H]- 244.111906 154.2
[M]+ 223.13669142 151.0
[M]- 223.13778858 151.0
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

No patent data available for this compound.