CID 3070758

86869-99-0

Structural Information

Molecular Formula
C11H6F3N5
SMILES
C1=CC=C(C=C1)C2=NC3=NN=C(N3N=C2)C(F)(F)F
InChI
InChI=1S/C11H6F3N5/c12-11(13,14)9-17-18-10-16-8(6-15-19(9)10)7-4-2-1-3-5-7/h1-6H
InChIKey
YBDRDIQZSKQACB-UHFFFAOYSA-N
Compound name
7-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.05753 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06481 155.6
[M+Na]+ 288.04675 168.5
[M-H]- 264.05025 153.9
[M+NH4]+ 283.09135 168.2
[M+K]+ 304.02069 162.1
[M+H-H2O]+ 248.05479 142.9
[M+HCOO]- 310.05573 171.1
[M+CH3COO]- 324.07138 166.6
[M+Na-2H]- 286.03220 163.5
[M]+ 265.05698 154.1
[M]- 265.05808 154.1
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

patents stripe