CID 351923

303140-06-9

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]+ 242.958596 133.4
[M+Na]+ 264.940538 149.4
[M-H]- 240.944044 138.5
[M+NH4]+ 259.985143 156.0
[M+K]+ 280.914478 136.8
[M+H-H2O]+ 224.948580 134.6
[M+HCOO]- 286.949521 149.8
[M+CH3COO]- 300.965171 149.7
[M+Na-2H]- 262.925986 140.6
[M]+ 241.95077142 155.2
[M]- 241.95186858 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.