CID 75357

4,5,6,7-tetrachloro-2-trifluoromethylbenzimidazole

Structural Information

Molecular Formula
C8HCl4F3N2
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HCl4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
QLKDMIUEWFNEPV-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

290
Patents

321.88458 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89186 155.5
[M+Na]+ 344.87380 169.9
[M-H]- 320.87730 150.4
[M+NH4]+ 339.91840 171.0
[M+K]+ 360.84774 161.9
[M+H-H2O]+ 304.88184 148.7
[M+HCOO]- 366.88278 152.6
[M+CH3COO]- 380.89843 165.4
[M+Na-2H]- 342.85925 156.7
[M]+ 321.88403 155.1
[M]- 321.88513 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe