CID 541462

3,4,5-tribromopyridine

Structural Information

Molecular Formula
C5H2Br3N
SMILES
C1=C(C(=C(C=N1)Br)Br)Br
InChI
InChI=1S/C5H2Br3N/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey
CWYVUHWKGWQPLP-UHFFFAOYSA-N
Compound name
3,4,5-tribromopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

312.77374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.78102 125.6
[M+Na]+ 335.76296 134.8
[M-H]- 311.76646 130.9
[M+NH4]+ 330.80756 141.2
[M+K]+ 351.73690 120.0
[M+H-H2O]+ 295.77100 141.2
[M+HCOO]- 357.77194 136.6
[M+CH3COO]- 371.78759 215.4
[M+Na-2H]- 333.74841 133.4
[M]+ 312.77319 166.5
[M]- 312.77429 166.5
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

patents stripe