CID 3042593

Urea, (o-chlorobenzoyl)-

Structural Information

Molecular Formula
C8H7ClN2O2
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)N)Cl
InChI
InChI=1S/C8H7ClN2O2/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKey
ZGOLQMOPAHHQCC-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

198.0196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02688 139.2
[M+Na]+ 221.00882 147.2
[M-H]- 197.01232 142.8
[M+NH4]+ 216.05342 158.5
[M+K]+ 236.98276 143.9
[M+H-H2O]+ 181.01686 134.2
[M+HCOO]- 243.01780 160.0
[M+CH3COO]- 257.03345 185.2
[M+Na-2H]- 218.99427 143.7
[M]+ 198.01905 138.8
[M]- 198.02015 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe