CID 49768210

Schembl1960665

Structural Information

Molecular Formula
C19H11Cl2F2N3
SMILES
C1=CC(=C(C(=C1)F)C2=NC3=CN(C=CC3=N2)CC4=CC(=C(C=C4)Cl)Cl)F
InChI
InChI=1S/C19H11Cl2F2N3/c20-12-5-4-11(8-13(12)21)9-26-7-6-16-17(10-26)25-19(24-16)18-14(22)2-1-3-15(18)23/h1-8,10H,9H2
InChIKey
PJNGYRFJQRRGDC-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

389.02982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03710 187.0
[M+Na]+ 412.01904 200.5
[M-H]- 388.02254 190.8
[M+NH4]+ 407.06364 198.7
[M+K]+ 427.99298 190.2
[M+H-H2O]+ 372.02708 174.5
[M+HCOO]- 434.02802 195.1
[M+CH3COO]- 448.04367 196.8
[M+Na-2H]- 410.00449 187.3
[M]+ 389.02927 190.0
[M]- 389.03037 190.0
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