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]+ 161.05095 130.0
[M+Na]+ 183.03289 143.4
[M-H]- 159.03639 128.0
[M+NH4]+ 178.07749 148.1
[M+K]+ 199.00683 136.7
[M+H-H2O]+ 143.04093 116.4
[M+HCOO]- 205.04187 145.7
[M+CH3COO]- 219.05752 141.9
[M+Na-2H]- 181.01834 135.9
[M]+ 160.04312 123.5
[M]- 160.04422 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.