CID 2774502

4-fluoroindole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1545
Patents

135.04843 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05571 120.9
[M+Na]+ 158.03765 131.9
[M-H]- 134.04115 122.3
[M+NH4]+ 153.08225 144.0
[M+K]+ 174.01159 127.9
[M+H-H2O]+ 118.04569 114.6
[M+HCOO]- 180.04663 144.2
[M+CH3COO]- 194.06228 135.7
[M+Na-2H]- 156.02310 129.7
[M]+ 135.04788 119.5
[M]- 135.04898 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