CID 468858

2-(2,6-difluorophenyl)-4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]benzimidazole

Structural Information

Molecular Formula
C21H11F7N2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C21H11F7N2/c1-9-4-2-7-13-20(9)29-21(14-11(22)5-3-6-12(14)23)30(13)8-10-15(24)17(26)19(28)18(27)16(10)25/h2-7H,8H2,1H3
InChIKey
YBFQHGHLKGKQPP-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

424.08105 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08833 197.1
[M+Na]+ 447.07027 213.6
[M-H]- 423.07377 198.7
[M+NH4]+ 442.11487 208.4
[M+K]+ 463.04421 202.7
[M+H-H2O]+ 407.07831 181.3
[M+HCOO]- 469.07925 211.5
[M+CH3COO]- 483.09490 206.7
[M+Na-2H]- 445.05572 192.5
[M]+ 424.08050 194.4
[M]- 424.08160 194.4
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