CID 43163484

1-(6-fluoro-1h-indol-3-yl)-2-methylpropan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.09029 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.097566 142.8
[M+Na]+ 228.079508 152.5
[M-H]- 204.083014 144.1
[M+NH4]+ 223.124113 163.0
[M+K]+ 244.053448 148.4
[M+H-H2O]+ 188.087550 136.1
[M+HCOO]- 250.088491 163.0
[M+CH3COO]- 264.104141 185.4
[M+Na-2H]- 226.064956 146.1
[M]+ 205.08974142 142.6
[M]- 205.09083858 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