CID 9981969

4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-thione

Structural Information

Molecular Formula
C7H2Br4N2S
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)NC(=S)N2
InChI
InChI=1S/C7H2Br4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
InChIKey
GYVCACUYQFXPLN-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

461.6672 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.674476 131.7
[M+Na]+ 484.656418 140.3
[M-H]- 460.659924 135.5
[M+NH4]+ 479.701023 142.5
[M+K]+ 500.630358 126.8
[M+H-H2O]+ 444.664460 151.2
[M+HCOO]- 506.665401 136.0
[M+CH3COO]- 520.681051 140.8
[M+Na-2H]- 482.641866 135.8
[M]+ 461.66665142 171.0
[M]- 461.66774858 171.0
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

No patent data available for this compound.