CID 46736836

3-allyl-6-bromo-2-chloropyridine

Structural Information

Molecular Formula
C8H7BrClN
SMILES
C=CCC1=C(N=C(C=C1)Br)Cl
InChI
InChI=1S/C8H7BrClN/c1-2-3-6-4-5-7(9)11-8(6)10/h2,4-5H,1,3H2
InChIKey
CUWURFDLPNVNQR-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-prop-2-enylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.94504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.952316 135.6
[M+Na]+ 253.934258 149.8
[M-H]- 229.937764 141.0
[M+NH4]+ 248.978863 157.5
[M+K]+ 269.908198 136.5
[M+H-H2O]+ 213.942300 136.6
[M+HCOO]- 275.943241 152.6
[M+CH3COO]- 289.958891 186.5
[M+Na-2H]- 251.919706 144.0
[M]+ 230.94449142 156.2
[M]- 230.94558858 156.2
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