CID 19586145

834896-45-6

Structural Information

Molecular Formula
C10H10F3N3
SMILES
CC1=CC(=C2C(=NN(C2=N1)C)C)C(F)(F)F
InChI
InChI=1S/C10H10F3N3/c1-5-4-7(10(11,12)13)8-6(2)15-16(3)9(8)14-5/h4H,1-3H3
InChIKey
PJJWNTNNTQFNKU-UHFFFAOYSA-N
Compound name
1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08269 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08997 146.9
[M+Na]+ 252.07191 160.8
[M-H]- 228.07541 145.3
[M+NH4]+ 247.11651 165.1
[M+K]+ 268.04585 156.3
[M+H-H2O]+ 212.07995 137.6
[M+HCOO]- 274.08089 164.4
[M+CH3COO]- 288.09654 192.2
[M+Na-2H]- 250.05736 152.0
[M]+ 229.08214 147.3
[M]- 229.08324 147.3
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.