CID 59476236

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

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CN2C(=C(C=N2)C=O)C=C1Br
InChI
InChI=1S/C8H5BrN2O/c9-7-1-2-11-8(3-7)6(5-12)4-10-11/h1-5H
InChIKey
PDZJMEHDPABUAI-UHFFFAOYSA-N
Compound name
5-bromopyrazolo[1,5-a]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

223.95853 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 135.5
[M+Na]+ 246.94775 150.9
[M-H]- 222.95125 141.3
[M+NH4]+ 241.99235 158.2
[M+K]+ 262.92169 139.8
[M+H-H2O]+ 206.95579 135.5
[M+HCOO]- 268.95673 158.0
[M+CH3COO]- 282.97238 152.2
[M+Na-2H]- 244.93320 145.3
[M]+ 223.95798 157.1
[M]- 223.95908 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