CID 394342

Nsc697711

Structural Information

Molecular Formula
C10H6F3N5
SMILES
C1=CC2=NC3=NNC(=C3N=C2C=C1C(F)(F)F)N
InChI
InChI=1S/C10H6F3N5/c11-10(12,13)4-1-2-5-6(3-4)15-7-8(14)17-18-9(7)16-5/h1-3H,(H3,14,16,17,18)
InChIKey
CBFUQPWHDSKCMB-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2H-pyrazolo[3,4-b]quinoxalin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.05753 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06481 152.1
[M+Na]+ 276.04675 165.3
[M-H]- 252.05025 148.3
[M+NH4]+ 271.09135 167.1
[M+K]+ 292.02069 158.3
[M+H-H2O]+ 236.05479 141.8
[M+HCOO]- 298.05573 167.1
[M+CH3COO]- 312.07138 163.1
[M+Na-2H]- 274.03220 160.0
[M]+ 253.05698 148.4
[M]- 253.05808 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.