CID 389725

Nsc686317

Structural Information

Molecular Formula
C13H10ClNO
SMILES
C1C(N2C=CC=C2C1=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C13H10ClNO/c14-10-4-1-3-9(7-10)12-8-13(16)11-5-2-6-15(11)12/h1-7,12H,8H2
InChIKey
ZAHYZMGPYOKOMJ-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05237 151.0
[M+Na]+ 254.03431 162.2
[M-H]- 230.03781 158.0
[M+NH4]+ 249.07891 173.4
[M+K]+ 270.00825 156.5
[M+H-H2O]+ 214.04235 145.0
[M+HCOO]- 276.04329 170.1
[M+CH3COO]- 290.05894 165.0
[M+Na-2H]- 252.01976 153.3
[M]+ 231.04454 153.2
[M]- 231.04564 153.2
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.