CID 5273326

4,6-dibromo-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1h-benzimidazole

Structural Information

Molecular Formula
C10H3Br2F7N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(C(C(F)(F)F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C10H3Br2F7N2/c11-3-1-4(12)6-5(2-3)20-7(21-6)8(13,14)9(15,16)10(17,18)19/h1-2H,(H,20,21)
InChIKey
OLWTVPYCWWDMQC-UHFFFAOYSA-N
Compound name
4,6-dibromo-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.85513 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.86241 186.5
[M+Na]+ 464.84435 200.3
[M-H]- 440.84785 185.3
[M+NH4]+ 459.88895 200.9
[M+K]+ 480.81829 182.6
[M+H-H2O]+ 424.85239 190.4
[M+HCOO]- 486.85333 191.7
[M+CH3COO]- 500.86898 219.9
[M+Na-2H]- 462.82980 189.9
[M]+ 441.85458 212.5
[M]- 441.85568 212.5
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.