CID 5273325

4,6-dibromo-2-(1,1,2,2,2-pentafluoroethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C9H3Br2F5N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(C(F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C9H3Br2F5N2/c10-3-1-4(11)6-5(2-3)17-7(18-6)8(12,13)9(14,15)16/h1-2H,(H,17,18)
InChIKey
BYBMBSURNFYWRQ-UHFFFAOYSA-N
Compound name
4,6-dibromo-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.8583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.86558 170.4
[M+Na]+ 414.84752 184.4
[M-H]- 390.85102 171.0
[M+NH4]+ 409.89212 186.7
[M+K]+ 430.82146 167.1
[M+H-H2O]+ 374.85556 175.8
[M+HCOO]- 436.85650 178.9
[M+CH3COO]- 450.87215 213.0
[M+Na-2H]- 412.83297 175.3
[M]+ 391.85775 199.3
[M]- 391.85885 199.3
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.