CID 82100444

4-fluoroethcathinone

Structural Information

Molecular Formula
C11H14FNO
SMILES
CCNC(C)C(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H14FNO/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9/h4-8,13H,3H2,1-2H3
InChIKey
KBNVGQPMFGSPPT-UHFFFAOYSA-N
Compound name
2-(ethylamino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

195.10594 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11322 142.3
[M+Na]+ 218.09516 148.7
[M-H]- 194.09866 144.6
[M+NH4]+ 213.13976 161.4
[M+K]+ 234.06910 146.7
[M+H-H2O]+ 178.10320 135.3
[M+HCOO]- 240.10414 164.6
[M+CH3COO]- 254.11979 188.9
[M+Na-2H]- 216.08061 145.9
[M]+ 195.10539 140.9
[M]- 195.10649 140.9
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.