CID 386503

Nsc678873

Structural Information

Molecular Formula
C10H8Br2N2O2
SMILES
CC1=NN2C=CC(=C(C2=C1Br)Br)OC(=O)C
InChI
InChI=1S/C10H8Br2N2O2/c1-5-8(11)10-9(12)7(16-6(2)15)3-4-14(10)13-5/h3-4H,1-2H3
InChIKey
NAKVLOJIBIYNJJ-UHFFFAOYSA-N
Compound name
(3,4-dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.89526 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.90254 147.1
[M+Na]+ 368.88448 160.9
[M-H]- 344.88798 153.8
[M+NH4]+ 363.92908 165.7
[M+K]+ 384.85842 146.3
[M+H-H2O]+ 328.89252 155.2
[M+HCOO]- 390.89346 163.0
[M+CH3COO]- 404.90911 210.1
[M+Na-2H]- 366.86993 153.5
[M]+ 345.89471 185.1
[M]- 345.89581 185.1
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

No patent data available for this compound.