CID 47003447

53439-89-7

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
CN1C2=C(C=C(C=C2)Br)N(C1=O)C
InChI
InChI=1S/C9H9BrN2O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,1-2H3
InChIKey
HFZWRJFAGBJEFX-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

239.98982 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 139.9
[M+Na]+ 262.979038 156.5
[M-H]- 238.982544 146.2
[M+NH4]+ 258.023643 162.6
[M+K]+ 278.952978 145.1
[M+H-H2O]+ 222.987080 140.1
[M+HCOO]- 284.988021 162.0
[M+CH3COO]- 299.003671 189.7
[M+Na-2H]- 260.964486 147.8
[M]+ 239.98927142 162.5
[M]- 239.99036858 162.5
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

patents stripe