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

79
Patents

160.04367 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05095 131.0
[M+Na]+ 183.03289 144.3
[M-H]- 159.03639 131.7
[M+NH4]+ 178.07749 150.8
[M+K]+ 199.00683 138.1
[M+H-H2O]+ 143.04093 117.8
[M+HCOO]- 205.04187 150.2
[M+CH3COO]- 219.05752 143.7
[M+Na-2H]- 181.01834 137.7
[M]+ 160.04312 125.1
[M]- 160.04422 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