CID 3589112

3,5-dibromo-4-chloro-2,6-dimethylpyridine

Structural Information

Molecular Formula
C7H6Br2ClN
SMILES
CC1=C(C(=C(C(=N1)C)Br)Cl)Br
InChI
InChI=1S/C7H6Br2ClN/c1-3-5(8)7(10)6(9)4(2)11-3/h1-2H3
InChIKey
SFOGWSXQURLBNE-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-chloro-2,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

296.85556 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.86284 133.7
[M+Na]+ 319.84478 148.2
[M-H]- 295.84828 140.3
[M+NH4]+ 314.88938 153.6
[M+K]+ 335.81872 131.2
[M+H-H2O]+ 279.85282 142.7
[M+HCOO]- 341.85376 146.3
[M+CH3COO]- 355.86941 203.8
[M+Na-2H]- 317.83023 141.2
[M]+ 296.85501 169.9
[M]- 296.85611 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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