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]+ 462.67448 131.7
[M+Na]+ 484.65642 140.3
[M-H]- 460.65992 135.5
[M+NH4]+ 479.70102 142.5
[M+K]+ 500.63036 126.8
[M+H-H2O]+ 444.66446 151.2
[M+HCOO]- 506.66540 136.0
[M+CH3COO]- 520.68105 140.8
[M+Na-2H]- 482.64187 135.8
[M]+ 461.66665 171.0
[M]- 461.66775 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

literature stripe

Patent stripe

No patent data available for this compound.