CID 22482479

Chembl244143

Structural Information

Molecular Formula
C20H12F4N2O
SMILES
C1=CC2=C(C(=C1)O)N=C(N2CC3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C20H12F4N2O/c21-12-4-1-5-13(22)11(12)10-26-16-8-3-9-17(27)19(16)25-20(26)18-14(23)6-2-7-15(18)24/h1-9,27H,10H2
InChIKey
DERBTHHKXLGQCV-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

372.08856 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09584 184.5
[M+Na]+ 395.07778 198.2
[M-H]- 371.08128 188.0
[M+NH4]+ 390.12238 196.7
[M+K]+ 411.05172 188.8
[M+H-H2O]+ 355.08582 171.4
[M+HCOO]- 417.08676 201.5
[M+CH3COO]- 431.10241 194.9
[M+Na-2H]- 393.06323 184.5
[M]+ 372.08801 183.3
[M]- 372.08911 183.3
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