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

0
Patents

223.04001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 146.7
[M+Na]+ 246.02923 155.5
[M-H]- 222.03273 152.1
[M+NH4]+ 241.07383 166.2
[M+K]+ 262.00317 151.2
[M+H-H2O]+ 206.03727 140.4
[M+HCOO]- 268.03821 163.9
[M+CH3COO]- 282.05386 184.8
[M+Na-2H]- 244.01468 148.7
[M]+ 223.03946 146.7
[M]- 223.04056 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