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]+ 224.14452 150.1
[M+Na]+ 246.12646 156.6
[M-H]- 222.12996 153.8
[M+NH4]+ 241.17106 169.0
[M+K]+ 262.10040 155.5
[M+H-H2O]+ 206.13450 143.1
[M+HCOO]- 268.13544 171.7
[M+CH3COO]- 282.15109 197.9
[M+Na-2H]- 244.11191 154.0
[M]+ 223.13669 150.9
[M]- 223.13779 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.