CID 12630985

2-bromo-5-chloro-3-methylpyridine

Structural Information

Molecular Formula
C6H5BrClN
SMILES
CC1=CC(=CN=C1Br)Cl
InChI
InChI=1S/C6H5BrClN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
InChIKey
XEHWMXAUPXFOHZ-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

204.9294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.93668 131.0
[M+Na]+ 227.91862 137.1
[M+NH4]+ 222.96322 137.2
[M+K]+ 243.89256 135.7
[M-H]- 203.92212 132.1
[M+Na-2H]- 225.90407 136.3
[M]+ 204.92885 131.4
[M]- 204.92995 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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