CID 468862

Chembl135523

Structural Information

Molecular Formula
C20H10F4N2O
SMILES
C1=CC=C2C(=C1)N=C(N2C(=O)C3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C20H10F4N2O/c21-11-5-3-6-12(22)17(11)19-25-15-9-1-2-10-16(15)26(19)20(27)18-13(23)7-4-8-14(18)24/h1-10H
InChIKey
XPQCYCBGLIGROT-UHFFFAOYSA-N
Compound name
(2,6-difluorophenyl)-[2-(2,6-difluorophenyl)benzimidazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

370.07294 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08022 183.3
[M+Na]+ 393.06216 196.5
[M-H]- 369.06566 187.9
[M+NH4]+ 388.10676 195.8
[M+K]+ 409.03610 187.9
[M+H-H2O]+ 353.07020 169.9
[M+HCOO]- 415.07114 201.0
[M+CH3COO]- 429.08679 194.0
[M+Na-2H]- 391.04761 183.3
[M]+ 370.07239 182.1
[M]- 370.07349 182.1
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