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

10
Patents

230.94504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.95232 135.6
[M+Na]+ 253.93426 149.8
[M-H]- 229.93776 141.0
[M+NH4]+ 248.97886 157.5
[M+K]+ 269.90820 136.5
[M+H-H2O]+ 213.94230 136.6
[M+HCOO]- 275.94324 152.6
[M+CH3COO]- 289.95889 186.5
[M+Na-2H]- 251.91971 144.0
[M]+ 230.94449 156.2
[M]- 230.94559 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