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

131
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 127.2
[M+Na]+ 172.05329 141.1
[M+NH4]+ 167.09789 136.5
[M+K]+ 188.02723 135.5
[M-H]- 148.05679 128.2
[M+Na-2H]- 170.03874 134.2
[M]+ 149.06352 129.5
[M]- 149.06462 129.5
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