CID 57443579

4-bromo-1-methyl-1h-pyrrolo[2,3-b]pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
CN1C=C(C2=C(C=CN=C21)Br)C=O
InChI
InChI=1S/C9H7BrN2O/c1-12-4-6(5-13)8-7(10)2-3-11-9(8)12/h2-5H,1H3
InChIKey
CALYOWUXGXUCGC-UHFFFAOYSA-N
Compound name
4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 139.9
[M+Na]+ 260.963398 155.7
[M-H]- 236.966904 145.9
[M+NH4]+ 256.008003 162.3
[M+K]+ 276.937338 144.4
[M+H-H2O]+ 220.971440 139.9
[M+HCOO]- 282.972381 162.1
[M+CH3COO]- 296.988031 188.5
[M+Na-2H]- 258.948846 148.5
[M]+ 237.97363142 162.2
[M]- 237.97472858 162.2
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