CID 137942468

4-bromopiperidine-1-carbonyl chloride

Structural Information

Molecular Formula
C6H9BrClNO
SMILES
C1CN(CCC1Br)C(=O)Cl
InChI
InChI=1S/C6H9BrClNO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2
InChIKey
HVMDVPYQUGXVFB-UHFFFAOYSA-N
Compound name
4-bromopiperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.9556 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96288 137.4
[M+Na]+ 247.94482 148.3
[M-H]- 223.94832 141.9
[M+NH4]+ 242.98942 158.8
[M+K]+ 263.91876 136.9
[M+H-H2O]+ 207.95286 138.4
[M+HCOO]- 269.95380 150.2
[M+CH3COO]- 283.96945 182.9
[M+Na-2H]- 245.93027 143.2
[M]+ 224.95505 153.5
[M]- 224.95615 153.5
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.