CID 118827524

2,5-dibromo-4-(bromomethyl)pyridine

Structural Information

Molecular Formula
C6H4Br3N
SMILES
C1=C(C(=CN=C1Br)Br)CBr
InChI
InChI=1S/C6H4Br3N/c7-2-4-1-6(9)10-3-5(4)8/h1,3H,2H2
InChIKey
NYSLPUGMDVGHBW-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

326.7894 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.79668 128.9
[M+Na]+ 349.77862 137.9
[M-H]- 325.78212 134.2
[M+NH4]+ 344.82322 144.2
[M+K]+ 365.75256 122.9
[M+H-H2O]+ 309.78666 144.4
[M+HCOO]- 371.78760 139.7
[M+CH3COO]- 385.80325 217.0
[M+Na-2H]- 347.76407 136.3
[M]+ 326.78885 170.0
[M]- 326.78995 170.0
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

patents stripe