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 157.6
[M+Na]+ 301.05592 169.9
[M-H]- 277.05942 158.8
[M+NH4]+ 296.10052 173.5
[M+K]+ 317.02986 162.9
[M+H-H2O]+ 261.06396 147.5
[M+HCOO]- 323.06490 175.4
[M+CH3COO]- 337.08055 169.5
[M+Na-2H]- 299.04137 163.3
[M]+ 278.06615 155.1
[M]- 278.06725 155.1
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