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

literature stripe

Patent stripe

patents stripe