CID 1350919

1-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)-1h-benzimidazol-1-yl]ethanone

Structural Information

Molecular Formula
C17H11F5N2O2
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)OC(F)F)C(F)(F)F
InChI
InChI=1S/C17H11F5N2O2/c18-16(19)26-11-7-5-10(6-8-11)14(25)9-24-13-4-2-1-3-12(13)23-15(24)17(20,21)22/h1-8,16H,9H2
InChIKey
WPAIINDAFCTYOP-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.07407 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08135 179.4
[M+Na]+ 393.06329 189.9
[M-H]- 369.06679 178.8
[M+NH4]+ 388.10789 191.6
[M+K]+ 409.03723 183.9
[M+H-H2O]+ 353.07133 166.5
[M+HCOO]- 415.07227 193.5
[M+CH3COO]- 429.08792 215.2
[M+Na-2H]- 391.04874 180.5
[M]+ 370.07352 177.5
[M]- 370.07462 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.