CID 130587309

1-(5-amino-2-fluorophenyl)butan-1-one

Structural Information

Molecular Formula
C10H12FNO
SMILES
CCCC(=O)C1=C(C=CC(=C1)N)F
InChI
InChI=1S/C10H12FNO/c1-2-3-10(13)8-6-7(12)4-5-9(8)11/h4-6H,2-3,12H2,1H3
InChIKey
ICMNCQYCSLRZSP-UHFFFAOYSA-N
Compound name
1-(5-amino-2-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09029 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 137.4
[M+Na]+ 204.07951 145.5
[M-H]- 180.08301 139.6
[M+NH4]+ 199.12411 157.2
[M+K]+ 220.05345 142.9
[M+H-H2O]+ 164.08755 130.8
[M+HCOO]- 226.08849 160.4
[M+CH3COO]- 240.10414 185.5
[M+Na-2H]- 202.06496 141.1
[M]+ 181.08974 135.6
[M]- 181.09084 135.6
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.