CID 468848

1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole

Structural Information

Molecular Formula
C21H14F4N2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
InChIKey
JIYRSPUMGRIYBL-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

370.1093 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11658 186.0
[M+Na]+ 393.09852 199.9
[M-H]- 369.10202 190.6
[M+NH4]+ 388.14312 199.1
[M+K]+ 409.07246 190.4
[M+H-H2O]+ 353.10656 172.5
[M+HCOO]- 415.10750 204.0
[M+CH3COO]- 429.12315 196.8
[M+Na-2H]- 391.08397 185.7
[M]+ 370.10875 185.5
[M]- 370.10985 185.5
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