CID 138987617

2300863-88-9

Structural Information

Molecular Formula
C6H7BrClNO
SMILES
C1CN(CC=C1Br)C(=O)Cl
InChI
InChI=1S/C6H7BrClNO/c7-5-1-3-9(4-2-5)6(8)10/h1H,2-4H2
InChIKey
JSCAFATYIATJLQ-UHFFFAOYSA-N
Compound name
4-bromo-3,6-dihydro-2H-pyridine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.93996 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.94724 134.8
[M+Na]+ 245.92918 146.7
[M-H]- 221.93268 139.7
[M+NH4]+ 240.97378 156.4
[M+K]+ 261.90312 135.1
[M+H-H2O]+ 205.93722 135.8
[M+HCOO]- 267.93816 149.0
[M+CH3COO]- 281.95381 182.5
[M+Na-2H]- 243.91463 141.6
[M]+ 222.93941 152.3
[M]- 222.94051 152.3
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

No patent data available for this compound.