CID 2422705

1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CCN(C1)CC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H14ClNO/c13-11-6-2-1-5-10(11)12(15)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKey
BDGKBEOKGJRBPL-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07639 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 149.8
[M+Na]+ 246.06561 156.9
[M-H]- 222.06911 154.5
[M+NH4]+ 241.11021 169.0
[M+K]+ 262.03955 152.4
[M+H-H2O]+ 206.07365 142.9
[M+HCOO]- 268.07459 166.2
[M+CH3COO]- 282.09024 186.2
[M+Na-2H]- 244.05106 151.8
[M]+ 223.07584 149.0
[M]- 223.07694 149.0
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.