CID 991794

667892-79-7

Structural Information

Molecular Formula
C14H10Br2N2O2S
SMILES
CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)Br)Br
InChI
InChI=1S/C14H10Br2N2O2S/c1-9-17-12-4-2-3-5-13(12)18(9)21(19,20)14-8-10(15)6-7-11(14)16/h2-8H,1H3
InChIKey
KYSZANPKGMOSCT-UHFFFAOYSA-N
Compound name
1-(2,5-dibromophenyl)sulfonyl-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.88297 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.89025 155.5
[M+Na]+ 450.87219 170.2
[M-H]- 426.87569 165.1
[M+NH4]+ 445.91679 172.2
[M+K]+ 466.84613 154.6
[M+H-H2O]+ 410.88023 164.7
[M+HCOO]- 472.88117 167.8
[M+CH3COO]- 486.89682 170.1
[M+Na-2H]- 448.85764 162.5
[M]+ 427.88242 194.5
[M]- 427.88352 194.5
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.