CID 129955983

5-(2-chloro-4-hydroxyphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1CC(=O)NC1C2=C(C=C(C=C2)O)Cl
InChI
InChI=1S/C10H10ClNO2/c11-8-5-6(13)1-2-7(8)9-3-4-10(14)12-9/h1-2,5,9,13H,3-4H2,(H,12,14)
InChIKey
ISXAIQCAOGSRFE-UHFFFAOYSA-N
Compound name
5-(2-chloro-4-hydroxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 143.6
[M+Na]+ 234.029228 152.7
[M-H]- 210.032734 146.6
[M+NH4]+ 229.073833 162.5
[M+K]+ 250.003168 147.1
[M+H-H2O]+ 194.037270 138.1
[M+HCOO]- 256.038211 158.9
[M+CH3COO]- 270.053861 178.6
[M+Na-2H]- 232.014676 145.7
[M]+ 211.03946142 141.3
[M]- 211.04055858 141.3
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.