CID 23094

Benzimidazole, 5,6-dichloro-4-nitro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H2Cl2F3N3O2
SMILES
C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H2Cl2F3N3O2/c9-2-1-3-5(6(4(2)10)16(17)18)15-7(14-3)8(11,12)13/h1H,(H,14,15)
InChIKey
DCCVVWRWIMIAHK-UHFFFAOYSA-N
Compound name
5,6-dichloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

298.9476 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.95488 151.5
[M+Na]+ 321.93682 164.0
[M-H]- 297.94032 148.8
[M+NH4]+ 316.98142 167.2
[M+K]+ 337.91076 153.5
[M+H-H2O]+ 281.94486 148.8
[M+HCOO]- 343.94580 160.8
[M+CH3COO]- 357.96145 190.3
[M+Na-2H]- 319.92227 158.2
[M]+ 298.94705 150.5
[M]- 298.94815 150.5
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