CID 49768211

Schembl1961789

Structural Information

Molecular Formula
C19H12F3N3
SMILES
C1=CC(=CC(=C1)F)C2=NC3=CN(C=CC3=N2)CC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C19H12F3N3/c20-14-3-1-2-12(8-14)19-23-17-6-7-25(11-18(17)24-19)10-13-4-5-15(21)9-16(13)22/h1-9,11H,10H2
InChIKey
ZRMSKDHEINPBBV-UHFFFAOYSA-N
Compound name
5-[(2,4-difluorophenyl)methyl]-2-(3-fluorophenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

339.09833 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10561 178.1
[M+Na]+ 362.08755 190.0
[M-H]- 338.09105 181.8
[M+NH4]+ 357.13215 190.4
[M+K]+ 378.06149 181.2
[M+H-H2O]+ 322.09559 164.5
[M+HCOO]- 384.09653 195.2
[M+CH3COO]- 398.11218 188.4
[M+Na-2H]- 360.07300 180.0
[M]+ 339.09778 176.2
[M]- 339.09888 176.2
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

patents stripe