CID 2784734

5-bromonicotinaldehyde

Structural Information

Molecular Formula
C6H4BrNO
SMILES
C1=C(C=NC=C1Br)C=O
InChI
InChI=1S/C6H4BrNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
InChIKey
NGUVGKAEOFPLDT-UHFFFAOYSA-N
Compound name
5-bromopyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1709
Patents

184.94763 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.95491 127.6
[M+Na]+ 207.93685 132.3
[M+NH4]+ 202.98145 132.8
[M+K]+ 223.91079 131.9
[M-H]- 183.94035 128.0
[M+Na-2H]- 205.92230 132.6
[M]+ 184.94708 127.2
[M]- 184.94818 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe