CID 351923

6-bromo-2-methylsulfanyl-1h-benzimidazole

Structural Information

Molecular Formula
C8H7BrN2S
SMILES
CSC1=NC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C8H7BrN2S/c1-12-8-10-6-3-2-5(9)4-7(6)11-8/h2-4H,1H3,(H,10,11)
InChIKey
SPSYWCNATOUHJM-UHFFFAOYSA-N
Compound name
6-bromo-2-methylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

241.95132 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95860 133.4
[M+Na]+ 264.94054 149.4
[M-H]- 240.94404 138.5
[M+NH4]+ 259.98514 156.0
[M+K]+ 280.91448 136.8
[M+H-H2O]+ 224.94858 134.6
[M+HCOO]- 286.94952 149.8
[M+CH3COO]- 300.96517 149.7
[M+Na-2H]- 262.92599 140.6
[M]+ 241.95077 155.2
[M]- 241.95187 155.2
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

No patent data available for this compound.