CID 468856

199594-61-1

Structural Information

Molecular Formula
C21H16F2N2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=CC=CC=C4
InChI
InChI=1S/C21H16F2N2/c1-14-7-5-12-18-20(14)24-21(19-16(22)10-6-11-17(19)23)25(18)13-15-8-3-2-4-9-15/h2-12H,13H2,1H3
InChIKey
OCTGKSHCZVWJBI-UHFFFAOYSA-N
Compound name
1-benzyl-2-(2,6-difluorophenyl)-4-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

334.12814 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13542 178.8
[M+Na]+ 357.11736 190.8
[M-H]- 333.12086 185.4
[M+NH4]+ 352.16196 192.9
[M+K]+ 373.09130 182.2
[M+H-H2O]+ 317.12540 166.8
[M+HCOO]- 379.12634 199.1
[M+CH3COO]- 393.14199 190.2
[M+Na-2H]- 355.10281 181.3
[M]+ 334.12759 179.5
[M]- 334.12869 179.5
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