CID 100729

Urea, (5-chloro-2,3-dihydro-2-oxo-6-benzoxazolyl)-

Structural Information

Molecular Formula
C8H6ClN3O3
SMILES
C1=C2C(=CC(=C1Cl)NC(=O)N)OC(=O)N2
InChI
InChI=1S/C8H6ClN3O3/c9-3-1-5-6(15-8(14)12-5)2-4(3)11-7(10)13/h1-2H,(H,12,14)(H3,10,11,13)
InChIKey
JTPXBHLFGSCVTN-UHFFFAOYSA-N
Compound name
(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00977 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01705 143.4
[M+Na]+ 249.99899 155.1
[M-H]- 226.00249 147.0
[M+NH4]+ 245.04359 161.6
[M+K]+ 265.97293 151.2
[M+H-H2O]+ 210.00703 138.1
[M+HCOO]- 272.00797 163.4
[M+CH3COO]- 286.02362 187.4
[M+Na-2H]- 247.98444 150.0
[M]+ 227.00922 146.2
[M]- 227.01032 146.2
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.