CID 492682

Chembl59237

Structural Information

Molecular Formula
C21H12F4N2O
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)C=O
InChI
InChI=1S/C21H12F4N2O/c22-14-5-2-6-15(23)13(14)10-27-18-9-1-4-12(11-28)20(18)26-21(27)19-16(24)7-3-8-17(19)25/h1-9,11H,10H2
InChIKey
DABSVOFHWWOBPI-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

384.08856 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09584 188.5
[M+Na]+ 407.07778 202.4
[M-H]- 383.08128 193.1
[M+NH4]+ 402.12238 200.7
[M+K]+ 423.05172 193.0
[M+H-H2O]+ 367.08582 174.8
[M+HCOO]- 429.08676 206.8
[M+CH3COO]- 443.10241 199.1
[M+Na-2H]- 405.06323 188.2
[M]+ 384.08801 188.6
[M]- 384.08911 188.6
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.