CID 40830

53615-23-9

Structural Information

Molecular Formula
C8H2Br2ClF3N2
SMILES
C1=C2C(=C(C(=C1Br)Cl)Br)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H2Br2ClF3N2/c9-2-1-3-6(4(10)5(2)11)16-7(15-3)8(12,13)14/h1H,(H,15,16)
InChIKey
POIOLNAIRDCQKY-UHFFFAOYSA-N
Compound name
4,6-dibromo-5-chloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.82254 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.82982 157.8
[M+Na]+ 398.81176 173.6
[M-H]- 374.81526 160.5
[M+NH4]+ 393.85636 175.7
[M+K]+ 414.78570 155.3
[M+H-H2O]+ 358.81980 164.9
[M+HCOO]- 420.82074 165.9
[M+CH3COO]- 434.83639 209.8
[M+Na-2H]- 396.79721 163.4
[M]+ 375.82199 190.9
[M]- 375.82309 190.9
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

No patent data available for this compound.