CID 5273330

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

Structural Information

Molecular Formula
C11HBr4F9N2
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)N=C(N2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11HBr4F9N2/c12-1-2(13)4(15)6-5(3(1)14)25-7(26-6)8(16,17)9(18,19)10(20,21)11(22,23)24/h(H,25,26)
InChIKey
KHRPULRPPUMCOT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

647.673 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.68028 205.3
[M+Na]+ 670.66222 212.4
[M-H]- 646.66572 205.2
[M+NH4]+ 665.70682 212.2
[M+K]+ 686.63616 198.3
[M+H-H2O]+ 630.67026 219.9
[M+HCOO]- 692.67120 204.4
[M+CH3COO]- 706.68685 246.6
[M+Na-2H]- 668.64767 202.6
[M]+ 647.67245 237.2
[M]- 647.67355 237.2
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

No patent data available for this compound.