CID 55292123

4-fluoroisocathinone

Structural Information

Molecular Formula
C9H10FNO
SMILES
CC(=O)C(C1=CC=C(C=C1)F)N
InChI
InChI=1S/C9H10FNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-5,9H,11H2,1H3
InChIKey
ALYWXRHUYNWZDI-UHFFFAOYSA-N
Compound name
1-amino-1-(4-fluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

167.07465 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08193 133.5
[M+Na]+ 190.06387 140.8
[M-H]- 166.06737 135.6
[M+NH4]+ 185.10847 153.5
[M+K]+ 206.03781 138.9
[M+H-H2O]+ 150.07191 126.9
[M+HCOO]- 212.07285 155.9
[M+CH3COO]- 226.08850 182.1
[M+Na-2H]- 188.04932 137.1
[M]+ 167.07410 130.3
[M]- 167.07520 130.3
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.