CID 29920125

393516-82-0

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 148.9
[M+Na]+ 349.77862 142.3
[M+NH4]+ 344.82322 150.2
[M+K]+ 365.75256 150.7
[M-H]- 325.78212 150.7
[M+Na-2H]- 347.76407 150.7
[M]+ 326.78885 148.3
[M]- 326.78995 148.3
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.