CID 130066078

3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C7H3BrClFN2
SMILES
C1=C(C(=CN2C1=C(C=N2)Br)F)Cl
InChI
InChI=1S/C7H3BrClFN2/c8-4-2-11-12-3-6(10)5(9)1-7(4)12/h1-3H
InChIKey
AUTCJJQWONMNAL-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.91522 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.92250 137.7
[M+Na]+ 270.90444 155.2
[M-H]- 246.90794 142.4
[M+NH4]+ 265.94904 160.7
[M+K]+ 286.87838 142.1
[M+H-H2O]+ 230.91248 137.6
[M+HCOO]- 292.91342 154.7
[M+CH3COO]- 306.92907 154.3
[M+Na-2H]- 268.88989 146.4
[M]+ 247.91467 159.4
[M]- 247.91577 159.4
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.