CID 22473022

4-fluoro-1h-indole-7-carbonitrile

Structural Information

Molecular Formula
C9H5FN2
SMILES
C1=CC(=C2C=CNC2=C1C#N)F
InChI
InChI=1S/C9H5FN2/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-4,12H
InChIKey
OHNJUDBFNBBWHU-UHFFFAOYSA-N
Compound name
4-fluoro-1H-indole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

160.04367 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.050946 131.0
[M+Na]+ 183.032888 144.3
[M-H]- 159.036394 131.7
[M+NH4]+ 178.077493 150.8
[M+K]+ 199.006828 138.1
[M+H-H2O]+ 143.040930 117.8
[M+HCOO]- 205.041871 150.2
[M+CH3COO]- 219.057521 143.7
[M+Na-2H]- 181.018336 137.7
[M]+ 160.04312142 125.1
[M]- 160.04421858 125.1
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