CID 468857

199594-62-2

Structural Information

Molecular Formula
C21H14Cl2F2N2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C21H14Cl2F2N2/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
OOSFJKGQOMRDCL-UHFFFAOYSA-N
Compound name
1-[(2,6-dichlorophenyl)methyl]-2-(2,6-difluorophenyl)-4-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

402.0502 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.05748 191.9
[M+Na]+ 425.03942 206.5
[M-H]- 401.04292 197.6
[M+NH4]+ 420.08402 205.0
[M+K]+ 441.01336 195.8
[M+H-H2O]+ 385.04746 180.4
[M+HCOO]- 447.04840 202.1
[M+CH3COO]- 461.06405 202.4
[M+Na-2H]- 423.02487 191.4
[M]+ 402.04965 197.0
[M]- 402.05075 197.0
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