CID 20214

Brn 0961953

Structural Information

Molecular Formula
C8HBrCl3F3N2
SMILES
C12=C(C(=C(C(=C1Br)Cl)Cl)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBrCl3F3N2/c9-1-2(10)3(11)4(12)6-5(1)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
KMFHVMJKOGJJRE-UHFFFAOYSA-N
Compound name
7-bromo-4,5,6-trichloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.83408 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.84136 159.1
[M+Na]+ 388.82330 177.8
[M-H]- 364.82680 159.0
[M+NH4]+ 383.86790 177.5
[M+K]+ 404.79724 161.5
[M+H-H2O]+ 348.83134 158.4
[M+HCOO]- 410.83228 160.7
[M+CH3COO]- 424.84793 172.1
[M+Na-2H]- 386.80875 163.2
[M]+ 365.83353 177.5
[M]- 365.83463 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe