CID 210677

21486-29-3

Structural Information

Molecular Formula
C14H9F3N2O
SMILES
C1=CC=C2C(=C1)C(=O)NN2C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C14H9F3N2O/c15-14(16,17)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13(20)18-19/h1-8H,(H,18,20)
InChIKey
BSJOXKITDODJTN-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07398 160.3
[M+Na]+ 301.05592 172.2
[M+NH4]+ 296.10052 165.7
[M+K]+ 317.02986 167.6
[M-H]- 277.05942 158.5
[M+Na-2H]- 299.04137 166.3
[M]+ 278.06615 161.3
[M]- 278.06725 161.3
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

No patent data available for this compound.