CID 46835438

6-chloro-3h-spiro[isobenzofuran-1,4'-piperidine] hydrochloride

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CNCCC12C3=C(CO2)C=CC(=C3)Cl
InChI
InChI=1S/C12H14ClNO/c13-10-2-1-9-8-15-12(11(9)7-10)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKey
CFXXYKNXUHGGRH-UHFFFAOYSA-N
Compound name
5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

223.07639 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 147.4
[M+Na]+ 246.06561 160.6
[M+NH4]+ 241.11021 159.1
[M+K]+ 262.03955 152.7
[M-H]- 222.06911 152.0
[M+Na-2H]- 244.05106 154.1
[M]+ 223.07584 151.1
[M]- 223.07694 151.1
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