CID 13597868

3-bromopyridine-4-carbonyl chloride hydrochloride

Structural Information

Molecular Formula
C6H3BrClNO
SMILES
C1=CN=CC(=C1C(=O)Cl)Br
InChI
InChI=1S/C6H3BrClNO/c7-5-3-9-2-1-4(5)6(8)10/h1-3H
InChIKey
PPXQCWYKQHICRO-UHFFFAOYSA-N
Compound name
3-bromopyridine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

218.90865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.915926 129.7
[M+Na]+ 241.897868 143.5
[M-H]- 217.901374 135.2
[M+NH4]+ 236.942473 151.6
[M+K]+ 257.871808 131.5
[M+H-H2O]+ 201.905910 130.7
[M+HCOO]- 263.906851 146.7
[M+CH3COO]- 277.922501 182.5
[M+Na-2H]- 239.883316 138.6
[M]+ 218.90810142 150.0
[M]- 218.90919858 150.0
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