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 165.8
[M+Na]+ 328.06682 176.9
[M-H]- 304.07032 167.8
[M+NH4]+ 323.11142 180.5
[M+K]+ 344.04076 170.7
[M+H-H2O]+ 288.07486 155.0
[M+HCOO]- 350.07580 184.2
[M+CH3COO]- 364.09145 204.6
[M+Na-2H]- 326.05227 169.9
[M]+ 305.07705 163.1
[M]- 305.07815 163.1
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

No patent data available for this compound.