CID 57754738

2-bromo-6-(1-bromoethyl)pyridine

Structural Information

Molecular Formula
C7H7Br2N
SMILES
CC(C1=NC(=CC=C1)Br)Br
InChI
InChI=1S/C7H7Br2N/c1-5(8)6-3-2-4-7(9)10-6/h2-5H,1H3
InChIKey
JCKQCMWJRYPFEQ-UHFFFAOYSA-N
Compound name
2-bromo-6-(1-bromoethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

262.89453 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.90181 131.9
[M+Na]+ 285.88375 143.1
[M-H]- 261.88725 137.9
[M+NH4]+ 280.92835 151.4
[M+K]+ 301.85769 128.3
[M+H-H2O]+ 245.89179 140.3
[M+HCOO]- 307.89273 147.5
[M+CH3COO]- 321.90838 198.9
[M+Na-2H]- 283.86920 140.2
[M]+ 262.89398 165.6
[M]- 262.89508 165.6
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

patents stripe