CID 53408070

5-(4-fluorophenyl)-1h-indazole

Structural Information

Molecular Formula
C13H9FN2
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)NN=C3)F
InChI
InChI=1S/C13H9FN2/c14-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-15-16-13/h1-8H,(H,15,16)
InChIKey
HKAWBFIKAUENTE-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.07498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08226 142.5
[M+Na]+ 235.06420 153.7
[M-H]- 211.06770 145.8
[M+NH4]+ 230.10880 160.9
[M+K]+ 251.03814 147.4
[M+H-H2O]+ 195.07224 133.8
[M+HCOO]- 257.07318 164.2
[M+CH3COO]- 271.08883 155.7
[M+Na-2H]- 233.04965 150.0
[M]+ 212.07443 141.3
[M]- 212.07553 141.3
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