CID 67861

5-fluoroindole

Structural Information

Molecular Formula
C8H6FN
SMILES
C1=CC2=C(C=CN2)C=C1F
InChI
InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey
ODFFPRGJZRXNHZ-UHFFFAOYSA-N
Compound name
5-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

3807
Patents

135.04843 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.055706 120.9
[M+Na]+ 158.037648 131.9
[M-H]- 134.041154 122.3
[M+NH4]+ 153.082253 144.0
[M+K]+ 174.011588 127.9
[M+H-H2O]+ 118.045690 114.6
[M+HCOO]- 180.046631 144.2
[M+CH3COO]- 194.062281 135.7
[M+Na-2H]- 156.023096 129.7
[M]+ 135.04788142 119.5
[M]- 135.04897858 119.5
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