CID 119013776

1335058-63-3

Structural Information

Molecular Formula
C8H9BrClNO
SMILES
CC(C)OC1=C(N=CC(=C1)Br)Cl
InChI
InChI=1S/C8H9BrClNO/c1-5(2)12-7-3-6(9)4-11-8(7)10/h3-5H,1-2H3
InChIKey
QPWDYXIBSFVGIV-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-propan-2-yloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

248.9556 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.96288 139.9
[M+Na]+ 271.94482 153.4
[M-H]- 247.94832 145.4
[M+NH4]+ 266.98942 161.0
[M+K]+ 287.91876 141.5
[M+H-H2O]+ 231.95286 140.6
[M+HCOO]- 293.95380 156.0
[M+CH3COO]- 307.96945 190.0
[M+Na-2H]- 269.93027 147.0
[M]+ 248.95505 161.9
[M]- 248.95615 161.9
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