CID 3055361

72307-46-1

Structural Information

Molecular Formula
C19H11F3N4O
SMILES
C1=CC=C(C=C1)C2=C3N=NC(=C(N3N=C2)C4=CC=CC=C4)C(=O)C(F)(F)F
InChI
InChI=1S/C19H11F3N4O/c20-19(21,22)17(27)15-16(13-9-5-2-6-10-13)26-18(25-24-15)14(11-23-26)12-7-3-1-4-8-12/h1-11H
InChIKey
WXIILKDTZHPBPE-UHFFFAOYSA-N
Compound name
1-(4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0885 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09578 184.4
[M+Na]+ 391.07772 195.5
[M-H]- 367.08122 187.0
[M+NH4]+ 386.12232 193.4
[M+K]+ 407.05166 187.3
[M+H-H2O]+ 351.08576 170.4
[M+HCOO]- 413.08670 199.0
[M+CH3COO]- 427.10235 193.6
[M+Na-2H]- 389.06317 188.6
[M]+ 368.08795 183.0
[M]- 368.08905 183.0
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.