CID 501935

6,8-dibromo-3-[(4-fluorophenyl)methylsulfanylmethyl]-5-methyl-imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C16H13Br2FN2S
SMILES
CC1=C(C=C(C2=NC=C(N12)CSCC3=CC=C(C=C3)F)Br)Br
InChI
InChI=1S/C16H13Br2FN2S/c1-10-14(17)6-15(18)16-20-7-13(21(10)16)9-22-8-11-2-4-12(19)5-3-11/h2-7H,8-9H2,1H3
InChIKey
LVZRHLIYIBXVLV-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[(4-fluorophenyl)methylsulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.915 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.92228 160.2
[M+Na]+ 464.90422 174.7
[M-H]- 440.90772 168.5
[M+NH4]+ 459.94882 176.9
[M+K]+ 480.87816 158.0
[M+H-H2O]+ 424.91226 168.3
[M+HCOO]- 486.91320 171.9
[M+CH3COO]- 500.92885 174.1
[M+Na-2H]- 462.88967 164.4
[M]+ 441.91445 198.6
[M]- 441.91555 198.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.