CID 135487865

Benzimidazole, 5-nitro-4,6,7-trichloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8HCl3F3N3O2
SMILES
C12=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HCl3F3N3O2/c9-1-2(10)6(17(18)19)3(11)5-4(1)15-7(16-5)8(12,13)14/h(H,15,16)
InChIKey
BRXRYLRPUIZHDY-UHFFFAOYSA-N
Compound name
4,5,7-trichloro-6-nitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.90863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.91591 158.3
[M+Na]+ 355.89785 170.8
[M-H]- 331.90135 154.5
[M+NH4]+ 350.94245 172.6
[M+K]+ 371.87179 160.2
[M+H-H2O]+ 315.90589 156.1
[M+HCOO]- 377.90683 162.0
[M+CH3COO]- 391.92248 196.7
[M+Na-2H]- 353.88330 163.0
[M]+ 332.90808 157.7
[M]- 332.90918 157.7
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