CID 2774504

7-fluoroindole

Structural Information

Molecular Formula
C8H6FN
SMILES
C1=CC2=C(C(=C1)F)NC=C2
InChI
InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey
XONKJZDHGCMRRF-UHFFFAOYSA-N
Compound name
7-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1021
Patents

135.04843 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05571 122.7
[M+Na]+ 158.03765 136.3
[M+NH4]+ 153.08225 132.1
[M+K]+ 174.01159 130.8
[M-H]- 134.04115 123.6
[M+Na-2H]- 156.02310 130.2
[M]+ 135.04788 124.8
[M]- 135.04898 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