CID 12272799

6-fluoro-7-methyl-1h-indole

Structural Information

Molecular Formula
C9H8FN
SMILES
CC1=C(C=CC2=C1NC=C2)F
InChI
InChI=1S/C9H8FN/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-5,11H,1H3
InChIKey
NWXBSWUAWHBOSL-UHFFFAOYSA-N
Compound name
6-fluoro-7-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

149.06407 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe