CID 173917

63405-99-2

Structural Information

Molecular Formula
C14H4Cl5F3N2O
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)OC2=C(C=C(C3=C2NC(=N3)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C14H4Cl5F3N2O/c15-4-1-6(17)9(3-5(4)16)25-12-8(19)2-7(18)10-11(12)24-13(23-10)14(20,21)22/h1-3H,(H,23,24)
InChIKey
RPICHNHPPUQIHI-UHFFFAOYSA-N
Compound name
4,6-dichloro-7-(2,4,5-trichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

246
Patents

447.87183 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.87911 185.5
[M+Na]+ 470.86105 198.8
[M-H]- 446.86455 181.6
[M+NH4]+ 465.90565 195.6
[M+K]+ 486.83499 191.1
[M+H-H2O]+ 430.86909 177.0
[M+HCOO]- 492.87003 176.8
[M+CH3COO]- 506.88568 192.3
[M+Na-2H]- 468.84650 183.0
[M]+ 447.87128 186.2
[M]- 447.87238 186.2
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