CID 72214213

3-bromo-4-chloro-5-methylpyridine

Structural Information

Molecular Formula
C6H5BrClN
SMILES
CC1=CN=CC(=C1Cl)Br
InChI
InChI=1S/C6H5BrClN/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3
InChIKey
LBZUNPHQQIYQGV-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.9294 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.936676 127.7
[M+Na]+ 227.918618 142.4
[M-H]- 203.922124 133.4
[M+NH4]+ 222.963223 150.6
[M+K]+ 243.892558 130.2
[M+H-H2O]+ 187.926660 129.0
[M+HCOO]- 249.927601 145.2
[M+CH3COO]- 263.943251 181.7
[M+Na-2H]- 225.904066 137.1
[M]+ 204.92885142 148.2
[M]- 204.92994858 148.2
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