CID 154147707

4-chloropiperidine-1-carbonyl chloride

Structural Information

Molecular Formula
C6H9Cl2NO
SMILES
C1CN(CCC1Cl)C(=O)Cl
InChI
InChI=1S/C6H9Cl2NO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2
InChIKey
FCIQNYDYSMNJRL-UHFFFAOYSA-N
Compound name
4-chloropiperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

181.00612 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.013396 133.4
[M+Na]+ 203.995338 141.1
[M-H]- 179.998844 134.4
[M+NH4]+ 199.039943 153.2
[M+K]+ 219.969278 137.5
[M+H-H2O]+ 164.003380 129.0
[M+HCOO]- 226.004321 143.1
[M+CH3COO]- 240.019971 177.2
[M+Na-2H]- 201.980786 137.1
[M]+ 181.00557142 131.6
[M]- 181.00666858 131.6
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

patents stripe