CID 13097910

84712-08-3

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CN1C2=C(C=C(C=C2)Br)NC1=O
InChI
InChI=1S/C8H7BrN2O/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
YNULJBICDDCLTN-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

225.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 136.6
[M+Na]+ 248.963398 152.4
[M-H]- 224.966904 141.5
[M+NH4]+ 244.008003 158.9
[M+K]+ 264.937338 140.4
[M+H-H2O]+ 208.971440 137.0
[M+HCOO]- 270.972381 157.7
[M+CH3COO]- 284.988031 152.9
[M+Na-2H]- 246.948846 145.3
[M]+ 225.97363142 156.9
[M]- 225.97472858 156.9
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

patents stripe