CID 206732

28616-30-0

Structural Information

Molecular Formula
C15H10F3N3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)N2C3=C(C=C(C=C3)N)C=N2
InChI
InChI=1S/C15H10F3N3O/c16-15(17,18)11-3-1-2-9(6-11)14(22)21-13-5-4-12(19)7-10(13)8-20-21/h1-8H,19H2
InChIKey
IUOFDLWSWOWJKN-UHFFFAOYSA-N
Compound name
(5-aminoindazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0776 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08488 165.1
[M+Na]+ 328.06682 175.6
[M+NH4]+ 323.11142 170.0
[M+K]+ 344.04076 171.9
[M-H]- 304.07032 163.6
[M+Na-2H]- 326.05227 170.6
[M]+ 305.07705 165.8
[M]- 305.07815 165.8
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.