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]+ 255.053096 155.5
[M+Na]+ 277.035038 162.4
[M-H]- 253.038544 162.9
[M+NH4]+ 272.079643 173.0
[M+K]+ 293.008978 159.6
[M+H-H2O]+ 237.043080 149.4
[M+HCOO]- 299.044021 175.3
[M+CH3COO]- 313.059671 193.7
[M+Na-2H]- 275.020486 159.2
[M]+ 254.04527142 155.7
[M]- 254.04636858 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.