CID 91620431

6-bromopyrazolo[1,5-a]pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC2=C(C=NN2C=C1Br)C=O
InChI
InChI=1S/C8H5BrN2O/c9-7-1-2-8-6(5-12)3-10-11(8)4-7/h1-5H
InChIKey
NEKUCJYTPZSTAW-UHFFFAOYSA-N
Compound name
6-bromopyrazolo[1,5-a]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

223.95853 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.965806 135.5
[M+Na]+ 246.947748 150.9
[M-H]- 222.951254 141.3
[M+NH4]+ 241.992353 158.2
[M+K]+ 262.921688 139.8
[M+H-H2O]+ 206.955790 135.5
[M+HCOO]- 268.956731 158.0
[M+CH3COO]- 282.972381 152.2
[M+Na-2H]- 244.933196 145.3
[M]+ 223.95798142 157.1
[M]- 223.95907858 157.1
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

patents stripe