CID 468846

212503-29-2

Structural Information

Molecular Formula
C22H16F4N2O
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3F)F)COCC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H16F4N2O/c23-16-5-3-6-17(24)14(16)11-28-21-10-2-1-9-20(21)27-22(28)13-29-12-15-18(25)7-4-8-19(15)26/h1-10H,11-13H2
InChIKey
GJYDIIYJGKMSQZ-UHFFFAOYSA-N
Compound name
2-[(2,6-difluorophenyl)methoxymethyl]-1-[(2,6-difluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

400.11987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12715 193.5
[M+Na]+ 423.10909 205.7
[M-H]- 399.11259 197.5
[M+NH4]+ 418.15369 204.8
[M+K]+ 439.08303 196.6
[M+H-H2O]+ 383.11713 179.2
[M+HCOO]- 445.11807 211.2
[M+CH3COO]- 459.13372 203.2
[M+Na-2H]- 421.09454 193.4
[M]+ 400.11932 194.1
[M]- 400.12042 194.1
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.