CID 63395698

1-benzoyl-3-(chloromethyl)pyrrolidine

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CN(CC1CCl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14ClNO/c13-8-10-6-7-14(9-10)12(15)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey
KLDUWLRSVLERAY-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)pyrrolidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.083666 150.1
[M+Na]+ 246.065608 157.2
[M-H]- 222.069114 154.8
[M+NH4]+ 241.110213 169.3
[M+K]+ 262.039548 152.8
[M+H-H2O]+ 206.073650 143.2
[M+HCOO]- 268.074591 166.5
[M+CH3COO]- 282.090241 185.5
[M+Na-2H]- 244.051056 152.0
[M]+ 223.07584142 149.2
[M]- 223.07693858 149.2
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.