CID 197787

Benzimidazole, 4,5,7-tribromo-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H2Br3F3N2
SMILES
C1=C(C2=C(C(=C1Br)Br)NC(=N2)C(F)(F)F)Br
InChI
InChI=1S/C8H2Br3F3N2/c9-2-1-3(10)5-6(4(2)11)16-7(15-5)8(12,13)14/h1H,(H,15,16)
InChIKey
GYDGKROMMMZLQI-UHFFFAOYSA-N
Compound name
4,6,7-tribromo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

419.77203 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.77931 155.2
[M+Na]+ 442.76125 165.6
[M-H]- 418.76475 158.0
[M+NH4]+ 437.80585 169.0
[M+K]+ 458.73519 149.8
[M+H-H2O]+ 402.76929 169.3
[M+HCOO]- 464.77023 162.5
[M+CH3COO]- 478.78588 224.0
[M+Na-2H]- 440.74670 159.5
[M]+ 419.77148 194.3
[M]- 419.77258 194.3
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