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

151
Patents

239.98982 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99710 139.9
[M+Na]+ 262.97904 156.5
[M-H]- 238.98254 146.2
[M+NH4]+ 258.02364 162.6
[M+K]+ 278.95298 145.1
[M+H-H2O]+ 222.98708 140.1
[M+HCOO]- 284.98802 162.0
[M+CH3COO]- 299.00367 189.7
[M+Na-2H]- 260.96449 147.8
[M]+ 239.98927 162.5
[M]- 239.99037 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