CID 5273329

4,5,6,7-tetrabromo-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1h-benzimidazole

Structural Information

Molecular Formula
C10HBr4F7N2
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)N=C(N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HBr4F7N2/c11-1-2(12)4(14)6-5(3(1)13)22-7(23-6)8(15,16)9(17,18)10(19,20)21/h(H,22,23)
InChIKey
DZJOUIUGMWGRGG-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

597.67615 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.68343 191.1
[M+Na]+ 620.66537 198.5
[M-H]- 596.66887 191.8
[M+NH4]+ 615.70997 199.0
[M+K]+ 636.63931 184.5
[M+H-H2O]+ 580.67341 206.8
[M+HCOO]- 642.67435 191.8
[M+CH3COO]- 656.69000 243.7
[M+Na-2H]- 618.65082 189.8
[M]+ 597.67560 225.2
[M]- 597.67670 225.2
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