CID 507396

1-ethyl-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C16H15FN2O
SMILES
CCN1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F
InChI
InChI=1S/C16H15FN2O/c1-3-19-13-9-6-10-14(20-2)15(13)18-16(19)11-7-4-5-8-12(11)17/h4-10H,3H2,1-2H3
InChIKey
PGFAERNTQXBQIA-UHFFFAOYSA-N
Compound name
1-ethyl-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11685 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12413 160.4
[M+Na]+ 293.10607 172.3
[M-H]- 269.10957 165.3
[M+NH4]+ 288.15067 177.6
[M+K]+ 309.08001 166.8
[M+H-H2O]+ 253.11411 151.0
[M+HCOO]- 315.11505 182.6
[M+CH3COO]- 329.13070 173.4
[M+Na-2H]- 291.09152 165.1
[M]+ 270.11630 164.1
[M]- 270.11740 164.1
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.