CID 404169

Nsc720321

Structural Information

Molecular Formula
C28H18F6N2O
SMILES
COC1=CC2=C(C=C1CC3=C(C=CC=C3F)F)N=C(N2CC4=C(C=CC=C4F)F)C5=C(C=CC=C5F)F
InChI
InChI=1S/C28H18F6N2O/c1-37-26-13-25-24(12-15(26)11-16-18(29)5-2-6-19(16)30)35-28(27-22(33)9-4-10-23(27)34)36(25)14-17-20(31)7-3-8-21(17)32/h2-10,12-13H,11,14H2,1H3
InChIKey
DLUPFJWQGVJYND-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1,5-bis[(2,6-difluorophenyl)methyl]-6-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

512.1323 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.13958 226.7
[M+Na]+ 535.12152 240.8
[M-H]- 511.12502 231.8
[M+NH4]+ 530.16612 233.5
[M+K]+ 551.09546 229.2
[M+H-H2O]+ 495.12956 209.0
[M+HCOO]- 557.13050 240.7
[M+CH3COO]- 571.14615 234.1
[M+Na-2H]- 533.10697 220.8
[M]+ 512.13175 226.1
[M]- 512.13285 226.1
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.