CID 15104423

7-fluoro-2-methyl-1h-indole

Structural Information

Molecular Formula
C9H8FN
SMILES
CC1=CC2=C(N1)C(=CC=C2)F
InChI
InChI=1S/C9H8FN/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5,11H,1H3
InChIKey
KGIYTULTJAPITB-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

149.06407 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe