CID 4714951

2-bromopyridine-3-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

906
Patents

184.94763 Da
Monoisotopic Mass

1.3
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