CID 9865503

Schembl5201109

Structural Information

Molecular Formula
C23H16F4N2
SMILES
CC(=C)C1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C23H16F4N2/c1-13(2)14-6-3-11-20-22(14)28-23(21-18(26)9-5-10-19(21)27)29(20)12-15-16(24)7-4-8-17(15)25/h3-11H,1,12H2,2H3
InChIKey
MKMQRMKUTKTEJW-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-1-en-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

396.12497 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.13225 194.0
[M+Na]+ 419.11419 206.9
[M-H]- 395.11769 198.3
[M+NH4]+ 414.15879 205.7
[M+K]+ 435.08813 196.9
[M+H-H2O]+ 379.12223 180.3
[M+HCOO]- 441.12317 210.4
[M+CH3COO]- 455.13882 203.8
[M+Na-2H]- 417.09964 191.5
[M]+ 396.12442 192.8
[M]- 396.12552 192.8
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