CID 53415732

1-(5-fluoro-1h-indol-3-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C12H12FNO
SMILES
CC(C)C(=O)C1=CNC2=C1C=C(C=C2)F
InChI
InChI=1S/C12H12FNO/c1-7(2)12(15)10-6-14-11-4-3-8(13)5-9(10)11/h3-7,14H,1-2H3
InChIKey
ABHNBWHTVDAWBJ-UHFFFAOYSA-N
Compound name
1-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

205.09029 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09757 142.8
[M+Na]+ 228.07951 152.5
[M-H]- 204.08301 144.1
[M+NH4]+ 223.12411 163.0
[M+K]+ 244.05345 148.4
[M+H-H2O]+ 188.08755 136.1
[M+HCOO]- 250.08849 163.0
[M+CH3COO]- 264.10414 185.4
[M+Na-2H]- 226.06496 146.1
[M]+ 205.08974 142.6
[M]- 205.09084 142.6
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

patents stripe