CID 121276972

3-bromo-2-chloro-4-ethylpyridine

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CCC1=C(C(=NC=C1)Cl)Br
InChI
InChI=1S/C7H7BrClN/c1-2-5-3-4-10-7(9)6(5)8/h3-4H,2H2,1H3
InChIKey
UQQYDICXGUTDMC-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-4-ethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.94504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 132.4
[M+Na]+ 241.93426 146.7
[M-H]- 217.93776 138.0
[M+NH4]+ 236.97886 154.8
[M+K]+ 257.90820 134.3
[M+H-H2O]+ 201.94230 133.5
[M+HCOO]- 263.94324 149.6
[M+CH3COO]- 277.95889 184.6
[M+Na-2H]- 239.91971 141.3
[M]+ 218.94449 153.3
[M]- 218.94559 153.3
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