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

literature stripe

Patent stripe

patents stripe