CID 99724

36342-13-9

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(C2=O)Cl
InChI
InChI=1S/C11H10ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-5,9H,6H2,1H3
InChIKey
UKFITXSLZKBHSN-UHFFFAOYSA-N
Compound name
3-chloro-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.042206 148.3
[M+Na]+ 262.024148 158.9
[M-H]- 238.027654 154.3
[M+NH4]+ 257.068753 167.6
[M+K]+ 277.998088 154.8
[M+H-H2O]+ 222.032190 142.2
[M+HCOO]- 284.033131 166.6
[M+CH3COO]- 298.048781 189.1
[M+Na-2H]- 260.009596 150.2
[M]+ 239.03438142 151.1
[M]- 239.03547858 151.1
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