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]+ 242.97637 140.2
[M+Na]+ 264.95831 155.2
[M-H]- 240.96181 143.6
[M+NH4]+ 260.00291 160.9
[M+K]+ 280.93225 142.8
[M+H-H2O]+ 224.96635 140.4
[M+HCOO]- 286.96729 159.8
[M+CH3COO]- 300.98294 155.5
[M+Na-2H]- 262.94376 148.3
[M]+ 241.96854 159.9
[M]- 241.96964 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.