CID 2762997

3-bromopyridine-4-carboxaldehyde

Structural Information

Molecular Formula
C6H4BrNO
SMILES
C1=CN=CC(=C1C=O)Br
InChI
InChI=1S/C6H4BrNO/c7-6-3-8-2-1-5(6)4-9/h1-4H
InChIKey
NOBDKWLIAQKADB-UHFFFAOYSA-N
Compound name
3-bromopyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

649
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 124.9
[M+Na]+ 207.93685 138.0
[M-H]- 183.94035 130.5
[M+NH4]+ 202.98145 147.3
[M+K]+ 223.91079 127.7
[M+H-H2O]+ 167.94489 125.3
[M+HCOO]- 229.94583 147.2
[M+CH3COO]- 243.96148 178.1
[M+Na-2H]- 205.92230 135.3
[M]+ 184.94708 144.1
[M]- 184.94818 144.1
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