CID 5273327

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

Structural Information

Molecular Formula
C11H3Br2F9N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C11H3Br2F9N2/c12-3-1-4(13)6-5(2-3)23-7(24-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h1-2H,(H,23,24)
InChIKey
ULSHDMSLDQIFQE-UHFFFAOYSA-N
Compound name
4,6-dibromo-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

491.85193 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.85921 202.2
[M+Na]+ 514.84115 215.6
[M-H]- 490.84465 199.1
[M+NH4]+ 509.88575 214.6
[M+K]+ 530.81509 197.6
[M+H-H2O]+ 474.84919 204.6
[M+HCOO]- 536.85013 204.0
[M+CH3COO]- 550.86578 226.8
[M+Na-2H]- 512.82660 204.2
[M]+ 491.85138 225.0
[M]- 491.85248 225.0
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.