CID 53670324

3,4-bis(bromomethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C7H7Br2N
SMILES
C1=CN=CC(=C1CBr)CBr
InChI
InChI=1S/C7H7Br2N/c8-3-6-1-2-10-5-7(6)4-9/h1-2,5H,3-4H2
InChIKey
AZMPRMRIFWGAMD-UHFFFAOYSA-N
Compound name
3,4-bis(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

262.89453 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.90181 130.7
[M+Na]+ 285.88375 142.1
[M-H]- 261.88725 136.6
[M+NH4]+ 280.92835 150.2
[M+K]+ 301.85769 127.0
[M+H-H2O]+ 245.89179 139.1
[M+HCOO]- 307.89273 147.1
[M+CH3COO]- 321.90838 198.3
[M+Na-2H]- 283.86920 140.0
[M]+ 262.89398 164.9
[M]- 262.89508 164.9
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