CID 11252584

4-bromo-1h-benzimidazole

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CC2=C(C(=C1)Br)N=CN2
InChI
InChI=1S/C7H5BrN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKey
MUQFMGBYYAOIJK-UHFFFAOYSA-N
Compound name
4-bromo-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

195.96361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 130.4
[M+Na]+ 218.95283 144.8
[M-H]- 194.95633 134.7
[M+NH4]+ 213.99743 153.3
[M+K]+ 234.92677 133.2
[M+H-H2O]+ 178.96087 130.7
[M+HCOO]- 240.96181 151.5
[M+CH3COO]- 254.97746 146.6
[M+Na-2H]- 216.93828 141.0
[M]+ 195.96306 149.0
[M]- 195.96416 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe