CID 6451851

42251-41-2

Structural Information

Molecular Formula
C13H18FNO
SMILES
CCN(CC)C(C)C(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C13H18FNO/c1-4-15(5-2)10(3)13(16)11-6-8-12(14)9-7-11/h6-10H,4-5H2,1-3H3
InChIKey
WGNVSJYDYFTELF-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 151.4
[M+Na]+ 246.126458 157.1
[M-H]- 222.129964 154.7
[M+NH4]+ 241.171063 170.0
[M+K]+ 262.100398 156.0
[M+H-H2O]+ 206.134500 143.8
[M+HCOO]- 268.135441 173.5
[M+CH3COO]- 282.151091 198.5
[M+Na-2H]- 244.111906 153.1
[M]+ 223.13669142 151.9
[M]- 223.13778858 151.9
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.