CID 3055363

72307-48-3

Structural Information

Molecular Formula
C20H10F6N4O
SMILES
C1=CC=C(C=C1)C2=C3N=NC(=C(N3N=C2)C4=CC=C(C=C4)F)C(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C20H10F6N4O/c21-13-8-6-12(7-9-13)16-15(17(31)19(22,23)20(24,25)26)28-29-18-14(10-27-30(16)18)11-4-2-1-3-5-11/h1-10H
InChIKey
DRRQILIGDQBMTB-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-1-[4-(4-fluorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.07587 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08315 199.0
[M+Na]+ 459.06509 211.0
[M-H]- 435.06859 198.3
[M+NH4]+ 454.10969 205.4
[M+K]+ 475.03903 201.9
[M+H-H2O]+ 419.07313 182.9
[M+HCOO]- 481.07407 208.3
[M+CH3COO]- 495.08972 206.3
[M+Na-2H]- 457.05054 201.2
[M]+ 436.07532 194.5
[M]- 436.07642 194.5
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.