CID 131051956

2243515-81-1

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CC1=C(C(=NC=C1)CCl)Br
InChI
InChI=1S/C7H7BrClN/c1-5-2-3-10-6(4-9)7(5)8/h2-3H,4H2,1H3
InChIKey
RHXAVHOWNSOVQY-UHFFFAOYSA-N
Compound name
3-bromo-2-(chloromethyl)-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.94504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 135.6
[M+Na]+ 241.93426 141.5
[M+NH4]+ 236.97886 141.6
[M+K]+ 257.90820 139.9
[M-H]- 217.93776 136.7
[M+Na-2H]- 239.91971 140.6
[M]+ 218.94449 136.0
[M]- 218.94559 136.0
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

No patent data available for this compound.