CID 137944105

2287316-28-1

Structural Information

Molecular Formula
C8H8F2N4
SMILES
CN1C2=C(C=N1)N=C(C(=C2)N)C(F)F
InChI
InChI=1S/C8H8F2N4/c1-14-6-2-4(11)7(8(9)10)13-5(6)3-12-14/h2-3,8H,11H2,1H3
InChIKey
HIBYGRROQJBQDL-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1-methylpyrazolo[4,3-b]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0717 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07898 137.5
[M+Na]+ 221.06092 149.6
[M-H]- 197.06442 136.4
[M+NH4]+ 216.10552 155.8
[M+K]+ 237.03486 145.7
[M+H-H2O]+ 181.06896 128.3
[M+HCOO]- 243.06990 157.9
[M+CH3COO]- 257.08555 150.6
[M+Na-2H]- 219.04637 142.7
[M]+ 198.07115 136.4
[M]- 198.07225 136.4
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.