CID 212316

N-(5-chloro-2-furoyl)urea

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
C1=C(OC(=C1)Cl)C(=O)NC(=O)N
InChI
InChI=1S/C6H5ClN2O3/c7-4-2-1-3(12-4)5(10)9-6(8)11/h1-2H,(H3,8,9,10,11)
InChIKey
AZVKBLJHEJPHIA-UHFFFAOYSA-N
Compound name
N-carbamoyl-5-chlorofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.99887 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 137.3
[M+Na]+ 210.98809 145.8
[M-H]- 186.99159 141.7
[M+NH4]+ 206.03269 157.3
[M+K]+ 226.96203 144.3
[M+H-H2O]+ 170.99613 132.4
[M+HCOO]- 232.99707 158.4
[M+CH3COO]- 247.01272 181.3
[M+Na-2H]- 208.97354 141.5
[M]+ 187.99832 138.5
[M]- 187.99942 138.5
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.