CID 2734427

5-bromo-2-chloro-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
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 127.7
[M+Na]+ 227.91862 142.4
[M-H]- 203.92212 133.4
[M+NH4]+ 222.96322 150.6
[M+K]+ 243.89256 130.2
[M+H-H2O]+ 187.92666 129.0
[M+HCOO]- 249.92760 145.2
[M+CH3COO]- 263.94325 181.7
[M+Na-2H]- 225.90407 137.1
[M]+ 204.92885 148.2
[M]- 204.92995 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

literature stripe

Patent stripe

patents stripe