CID 131873274

1388064-25-2

Structural Information

Molecular Formula
C8H7BrN2O2
SMILES
COC1=CC2=C(C(=C1)Br)NC(=O)N2
InChI
InChI=1S/C8H7BrN2O2/c1-13-4-2-5(9)7-6(3-4)10-8(12)11-7/h2-3H,1H3,(H2,10,11,12)
InChIKey
OWGRFTNXMDCMGS-UHFFFAOYSA-N
Compound name
4-bromo-6-methoxy-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.96909 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.976366 140.2
[M+Na]+ 264.958308 155.2
[M-H]- 240.961814 143.6
[M+NH4]+ 260.002913 160.9
[M+K]+ 280.932248 142.8
[M+H-H2O]+ 224.966350 140.4
[M+HCOO]- 286.967291 159.8
[M+CH3COO]- 300.982941 155.5
[M+Na-2H]- 262.943756 148.3
[M]+ 241.96854142 159.9
[M]- 241.96963858 159.9
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.