CID 22351503

5-fluoro-3-methylindole

Structural Information

Molecular Formula
C9H8FN
SMILES
CC1=CNC2=C1C=C(C=C2)F
InChI
InChI=1S/C9H8FN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3
InChIKey
CSDHAGJNOQIBHZ-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

327
Patents

149.06407 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07135 125.5
[M+Na]+ 172.05329 137.0
[M-H]- 148.05679 127.2
[M+NH4]+ 167.09789 148.4
[M+K]+ 188.02723 132.8
[M+H-H2O]+ 132.06133 119.3
[M+HCOO]- 194.06227 148.4
[M+CH3COO]- 208.07792 140.3
[M+Na-2H]- 170.03874 133.0
[M]+ 149.06352 124.8
[M]- 149.06462 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe