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]+ 242.97637 142.7
[M+Na]+ 264.95831 152.5
[M-H]- 240.96181 148.5
[M+NH4]+ 260.00291 162.6
[M+K]+ 280.93225 141.5
[M+H-H2O]+ 224.96635 141.2
[M+HCOO]- 286.96729 164.9
[M+CH3COO]- 300.98294 191.3
[M+Na-2H]- 262.94376 148.4
[M]+ 241.96854 158.4
[M]- 241.96964 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.