CID 507378

1-[(2-chloro-6-fluoro-phenyl)methyl]-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C21H15ClF2N2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=C(C=CC=C3Cl)F)C4=CC=CC=C4F
InChI
InChI=1S/C21H15ClF2N2O/c1-27-19-11-5-10-18-20(19)25-21(13-6-2-3-8-16(13)23)26(18)12-14-15(22)7-4-9-17(14)24/h2-11H,12H2,1H3
InChIKey
SQPXRIXWHYUZCD-UHFFFAOYSA-N
Compound name
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0841 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09138 189.1
[M+Na]+ 407.07332 202.4
[M-H]- 383.07682 195.6
[M+NH4]+ 402.11792 202.1
[M+K]+ 423.04726 193.2
[M+H-H2O]+ 367.08136 177.1
[M+HCOO]- 429.08230 204.7
[M+CH3COO]- 443.09795 200.1
[M+Na-2H]- 405.05877 190.2
[M]+ 384.08355 193.8
[M]- 384.08465 193.8
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.