CID 37020

34971-16-9

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
C1CC(OC1=O)(C2=CC=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)11(10(13)15)6-5-9(14)16-11/h1-4H,5-6H2,(H2,13,15)
InChIKey
LHYFBQKQNXACKW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-oxooxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03493 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.042206 149.6
[M+Na]+ 262.024148 158.3
[M-H]- 238.027654 156.8
[M+NH4]+ 257.068753 169.8
[M+K]+ 277.998088 155.3
[M+H-H2O]+ 222.032190 144.9
[M+HCOO]- 284.033131 167.8
[M+CH3COO]- 298.048781 188.8
[M+Na-2H]- 260.009596 153.2
[M]+ 239.03438142 149.9
[M]- 239.03547858 149.9
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.