CID 29920125

2,5,6-tribromo-3-methylpyridine

Structural Information

Molecular Formula
C6H4Br3N
SMILES
CC1=CC(=C(N=C1Br)Br)Br
InChI
InChI=1S/C6H4Br3N/c1-3-2-4(7)6(9)10-5(3)8/h2H,1H3
InChIKey
XXEWSVZWDLDXRE-UHFFFAOYSA-N
Compound name
2,3,6-tribromo-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.7894 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.79668 128.3
[M+Na]+ 349.77862 137.8
[M-H]- 325.78212 133.7
[M+NH4]+ 344.82322 143.7
[M+K]+ 365.75256 122.7
[M+H-H2O]+ 309.78666 143.7
[M+HCOO]- 371.78760 139.0
[M+CH3COO]- 385.80325 217.6
[M+Na-2H]- 347.76407 135.3
[M]+ 326.78885 169.6
[M]- 326.78995 169.6
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

No patent data available for this compound.