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]+ 189.006146 137.3
[M+Na]+ 210.988088 145.8
[M-H]- 186.991594 141.7
[M+NH4]+ 206.032693 157.3
[M+K]+ 226.962028 144.3
[M+H-H2O]+ 170.996130 132.4
[M+HCOO]- 232.997071 158.4
[M+CH3COO]- 247.012721 181.3
[M+Na-2H]- 208.973536 141.5
[M]+ 187.99832142 138.5
[M]- 187.99941858 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.