CID 130063109

7-fluoro-1h-indazole-6-carbonitrile

Structural Information

Molecular Formula
C8H4FN3
SMILES
C1=CC(=C(C2=C1C=NN2)F)C#N
InChI
InChI=1S/C8H4FN3/c9-7-5(3-10)1-2-6-4-11-12-8(6)7/h1-2,4H,(H,11,12)
InChIKey
JVVNGZAJISORQN-UHFFFAOYSA-N
Compound name
7-fluoro-1H-indazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.03893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.04621 129.1
[M+Na]+ 184.02815 142.2
[M-H]- 160.03165 128.2
[M+NH4]+ 179.07275 147.3
[M+K]+ 200.00209 136.6
[M+H-H2O]+ 144.03619 114.8
[M+HCOO]- 206.03713 147.1
[M+CH3COO]- 220.05278 141.3
[M+Na-2H]- 182.01360 136.1
[M]+ 161.03838 123.1
[M]- 161.03948 123.1
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