CID 3055360

72307-45-0

Structural Information

Molecular Formula
C14H6F6N4O
SMILES
C1=CC=C(C=C1)C2=C3N=NC(=C(N3N=C2)C(F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C14H6F6N4O/c15-13(16,17)10-9(11(25)14(18,19)20)22-23-12-8(6-21-24(10)12)7-4-2-1-3-5-7/h1-6H
InChIKey
BSVNGQSLTKXLAI-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[8-phenyl-4-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.0446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05188 176.1
[M+Na]+ 383.03382 188.8
[M-H]- 359.03732 172.5
[M+NH4]+ 378.07842 186.1
[M+K]+ 399.00776 181.8
[M+H-H2O]+ 343.04186 161.9
[M+HCOO]- 405.04280 186.5
[M+CH3COO]- 419.05845 211.7
[M+Na-2H]- 381.01927 180.0
[M]+ 360.04405 171.5
[M]- 360.04515 171.5
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.