CID 126971215

1256804-33-7

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]+ 233.967976 137.2
[M+Na]+ 255.949918 150.8
[M-H]- 231.953424 142.7
[M+NH4]+ 250.994523 159.0
[M+K]+ 271.923858 138.5
[M+H-H2O]+ 215.957960 138.1
[M+HCOO]- 277.958901 153.1
[M+CH3COO]- 291.974551 188.1
[M+Na-2H]- 253.935366 144.3
[M]+ 232.96015142 157.8
[M]- 232.96124858 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