CID 44435510

Chembl241333

Structural Information

Molecular Formula
C20H12ClF3N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)/C=C/C3=CC=C(O3)C4=C(C=CC=C4Cl)C(F)(F)F
InChI
InChI=1S/C20H12ClF3N2O/c21-14-5-3-4-13(20(22,23)24)19(14)17-10-8-12(27-17)9-11-18-25-15-6-1-2-7-16(15)26-18/h1-11H,(H,25,26)/b11-9+
InChIKey
TWJVPACPUNSOLQ-PKNBQFBNSA-N
Compound name
2-[(E)-2-[5-[2-chloro-6-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.05902 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06630 188.1
[M+Na]+ 411.04824 200.6
[M-H]- 387.05174 193.0
[M+NH4]+ 406.09284 200.7
[M+K]+ 427.02218 191.8
[M+H-H2O]+ 371.05628 177.6
[M+HCOO]- 433.05722 200.3
[M+CH3COO]- 447.07287 198.4
[M+Na-2H]- 409.03369 188.8
[M]+ 388.05847 189.3
[M]- 388.05957 189.3
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.