CID 104432

53207-35-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 150.1
[M+Na]+ 246.126458 156.6
[M-H]- 222.129964 153.8
[M+NH4]+ 241.171063 169.0
[M+K]+ 262.100398 155.5
[M+H-H2O]+ 206.134500 143.1
[M+HCOO]- 268.135441 171.7
[M+CH3COO]- 282.151091 197.9
[M+Na-2H]- 244.111906 154.0
[M]+ 223.13669142 150.9
[M]- 223.13778858 150.9
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.