CID 22490033

4-fluoro-2-methyl-1h-indole

Structural Information

Molecular Formula
C9H8FN
SMILES
CC1=CC2=C(N1)C=CC=C2F
InChI
InChI=1S/C9H8FN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,11H,1H3
InChIKey
PHGHGDMLJZDQIR-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

149.06407 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.071346 125.5
[M+Na]+ 172.053288 137.0
[M-H]- 148.056794 127.2
[M+NH4]+ 167.097893 148.4
[M+K]+ 188.027228 132.8
[M+H-H2O]+ 132.061330 119.3
[M+HCOO]- 194.062271 148.4
[M+CH3COO]- 208.077921 140.3
[M+Na-2H]- 170.038736 133.0
[M]+ 149.06352142 124.8
[M]- 149.06461858 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