CID 3060088

77694-45-2

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
C1COC(=O)C1NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2O3/c12-7-1-3-8(4-2-7)13-11(16)14-9-5-6-17-10(9)15/h1-4,9H,5-6H2,(H2,13,14,16)
InChIKey
XLNXTTAJRCKFBW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.04582 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05310 155.5
[M+Na]+ 277.03504 162.4
[M-H]- 253.03854 162.9
[M+NH4]+ 272.07964 173.0
[M+K]+ 293.00898 159.6
[M+H-H2O]+ 237.04308 149.4
[M+HCOO]- 299.04402 175.3
[M+CH3COO]- 313.05967 193.7
[M+Na-2H]- 275.02049 159.2
[M]+ 254.04527 155.7
[M]- 254.04637 155.7
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

No patent data available for this compound.