CID 22482468

Chembl244357

Structural Information

Molecular Formula
C21H12F4N2O2
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)C(=O)O
InChI
InChI=1S/C21H12F4N2O2/c22-13-5-2-6-14(23)12(13)10-27-17-9-1-4-11(21(28)29)19(17)26-20(27)18-15(24)7-3-8-16(18)25/h1-9H,10H2,(H,28,29)
InChIKey
WGDBSFCTDROKSJ-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

400.0835 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09078 191.0
[M+Na]+ 423.07272 203.9
[M-H]- 399.07622 194.5
[M+NH4]+ 418.11732 201.7
[M+K]+ 439.04666 195.1
[M+H-H2O]+ 383.08076 177.8
[M+HCOO]- 445.08170 207.0
[M+CH3COO]- 459.09735 200.7
[M+Na-2H]- 421.05817 189.5
[M]+ 400.08295 190.3
[M]- 400.08405 190.3
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