CID 404172

Nsc720324

Structural Information

Molecular Formula
C22H16F4N2
SMILES
CC1=CC2=C(C=C1C)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H16F4N2/c1-12-9-19-20(10-13(12)2)28(11-14-15(23)5-3-6-16(14)24)22(27-19)21-17(25)7-4-8-18(21)26/h3-10H,11H2,1-2H3
InChIKey
MVZXSBJQFHXYTI-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-5,6-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.12497 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13225 191.2
[M+Na]+ 407.11419 205.5
[M-H]- 383.11769 195.9
[M+NH4]+ 402.15879 203.9
[M+K]+ 423.08813 195.7
[M+H-H2O]+ 367.12223 177.6
[M+HCOO]- 429.12317 208.7
[M+CH3COO]- 443.13882 201.8
[M+Na-2H]- 405.09964 189.5
[M]+ 384.12442 191.3
[M]- 384.12552 191.3
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

No patent data available for this compound.