CID 3040256

Urea, (m-bromobenzoyl)-

Structural Information

Molecular Formula
C8H7BrN2O2
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC(=O)N
InChI
InChI=1S/C8H7BrN2O2/c9-6-3-1-2-5(4-6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKey
UKNKWDNRCNPDFE-UHFFFAOYSA-N
Compound name
3-bromo-N-carbamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.96909 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.976366 142.7
[M+Na]+ 264.958308 152.5
[M-H]- 240.961814 148.5
[M+NH4]+ 260.002913 162.6
[M+K]+ 280.932248 141.5
[M+H-H2O]+ 224.966350 141.2
[M+HCOO]- 286.967291 164.9
[M+CH3COO]- 300.982941 191.3
[M+Na-2H]- 262.943756 148.4
[M]+ 241.96854142 158.4
[M]- 241.96963858 158.4
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.