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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.