CID 3024923

Sr 41676

Structural Information

Molecular Formula
C12H13Cl2NO
SMILES
CC1CC(NC1=O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H13Cl2NO/c1-7-4-10(15-12(7)16)5-8-2-3-9(13)6-11(8)14/h2-3,6-7,10H,4-5H2,1H3,(H,15,16)
InChIKey
IXBXAPUGOAMNBY-UHFFFAOYSA-N
Compound name
5-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0374 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04468 156.3
[M+Na]+ 280.02662 166.2
[M-H]- 256.03012 159.8
[M+NH4]+ 275.07122 174.7
[M+K]+ 296.00056 159.1
[M+H-H2O]+ 240.03466 150.8
[M+HCOO]- 302.03560 166.9
[M+CH3COO]- 316.05125 190.8
[M+Na-2H]- 278.01207 156.1
[M]+ 257.03685 156.4
[M]- 257.03795 156.4
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.