CID 167721748

4-ethynyl-7-fluoro-1h-indazole

Structural Information

Molecular Formula
C9H5FN2
SMILES
C#CC1=C2C=NNC2=C(C=C1)F
InChI
InChI=1S/C9H5FN2/c1-2-6-3-4-8(10)9-7(6)5-11-12-9/h1,3-5H,(H,11,12)
InChIKey
AHKQDVBXXZNIFR-UHFFFAOYSA-N
Compound name
4-ethynyl-7-fluoro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 130.0
[M+Na]+ 183.032888 143.4
[M-H]- 159.036394 128.0
[M+NH4]+ 178.077493 148.1
[M+K]+ 199.006828 136.7
[M+H-H2O]+ 143.040930 116.4
[M+HCOO]- 205.041871 145.7
[M+CH3COO]- 219.057521 141.9
[M+Na-2H]- 181.018336 135.9
[M]+ 160.04312142 123.5
[M]- 160.04421858 123.5
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

No patent data available for this compound.