CID 3078132

2-pyrrolidinone, 1-(4-chlorobenzoyl)-

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
C1CC(=O)N(C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKey
HTMAAEZYWDDRFE-UHFFFAOYSA-N
Compound name
1-(4-chlorobenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.04001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 146.7
[M+Na]+ 246.029228 155.5
[M-H]- 222.032734 152.1
[M+NH4]+ 241.073833 166.2
[M+K]+ 262.003168 151.2
[M+H-H2O]+ 206.037270 140.4
[M+HCOO]- 268.038211 163.9
[M+CH3COO]- 282.053861 184.8
[M+Na-2H]- 244.014676 148.7
[M]+ 223.03946142 146.7
[M]- 223.04055858 146.7
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

patents stripe