CID 16790258

1-(4-amino-2,6-dichlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10Cl2N2O
SMILES
C1CC(=O)N(C1)C2=C(C=C(C=C2Cl)N)Cl
InChI
InChI=1S/C10H10Cl2N2O/c11-7-4-6(13)5-8(12)10(7)14-3-1-2-9(14)15/h4-5H,1-3,13H2
InChIKey
YJIAUYQUFVLQMC-UHFFFAOYSA-N
Compound name
1-(4-amino-2,6-dichlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.01701 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.024286 152.4
[M+Na]+ 267.006228 162.7
[M-H]- 243.009734 157.0
[M+NH4]+ 262.050833 171.4
[M+K]+ 282.980168 156.5
[M+H-H2O]+ 227.014270 146.7
[M+HCOO]- 289.015211 165.5
[M+CH3COO]- 303.030861 191.6
[M+Na-2H]- 264.991676 153.0
[M]+ 244.01646142 152.0
[M]- 244.01755858 152.0
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.