CID 5326977

S-methyl-4,5,6,7-tetrabromo-benzimidazole

Structural Information

Molecular Formula
C8H4Br4N2S
SMILES
CSC1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C8H4Br4N2S/c1-15-8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14)
InChIKey
ZIGJZZDDPXRGTL-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-methylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

475.68286 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.69014 133.4
[M+Na]+ 498.67208 142.1
[M-H]- 474.67558 137.7
[M+NH4]+ 493.71668 144.3
[M+K]+ 514.64602 129.1
[M+H-H2O]+ 458.68012 152.9
[M+HCOO]- 520.68106 138.1
[M+CH3COO]- 534.69671 142.6
[M+Na-2H]- 496.65753 137.5
[M]+ 475.68231 173.7
[M]- 475.68341 173.7
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