CID 126971215

5-bromo-2-chloro-3-(propan-2-yl)pyridine

Structural Information

Molecular Formula
C8H9BrClN
SMILES
CC(C)C1=C(N=CC(=C1)Br)Cl
InChI
InChI=1S/C8H9BrClN/c1-5(2)7-3-6(9)4-11-8(7)10/h3-5H,1-2H3
InChIKey
GEPJGFHQLMFVAF-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

232.9607 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96798 137.2
[M+Na]+ 255.94992 150.8
[M-H]- 231.95342 142.7
[M+NH4]+ 250.99452 159.0
[M+K]+ 271.92386 138.5
[M+H-H2O]+ 215.95796 138.1
[M+HCOO]- 277.95890 153.1
[M+CH3COO]- 291.97455 188.1
[M+Na-2H]- 253.93537 144.3
[M]+ 232.96015 157.8
[M]- 232.96125 157.8
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