CID 49768205

Schembl1959935

Structural Information

Molecular Formula
C19H10F5N3
SMILES
C1=CC(=C(C(=C1)F)C2=NC3=CN(C=CC3=N2)CC4=C(C=C(C=C4F)F)F)F
InChI
InChI=1S/C19H10F5N3/c20-10-6-14(23)11(15(24)7-10)8-27-5-4-16-17(9-27)26-19(25-16)18-12(21)2-1-3-13(18)22/h1-7,9H,8H2
InChIKey
TZNNUELHVGDFDO-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-5-[(2,4,6-trifluorophenyl)methyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

375.0795 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08678 185.6
[M+Na]+ 398.06872 199.4
[M-H]- 374.07222 187.4
[M+NH4]+ 393.11332 196.8
[M+K]+ 414.04266 189.6
[M+H-H2O]+ 358.07676 170.6
[M+HCOO]- 420.07770 200.4
[M+CH3COO]- 434.09335 195.3
[M+Na-2H]- 396.05417 184.7
[M]+ 375.07895 182.5
[M]- 375.08005 182.5
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