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]+ 224.14452 151.8
[M+Na]+ 246.12646 157.3
[M-H]- 222.12996 153.6
[M+NH4]+ 241.17106 169.7
[M+K]+ 262.10040 154.8
[M+H-H2O]+ 206.13450 144.3
[M+HCOO]- 268.13544 173.4
[M+CH3COO]- 282.15109 194.9
[M+Na-2H]- 244.11191 154.2
[M]+ 223.13669 151.0
[M]- 223.13779 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.