CID 11137833

2-bromo-3,5-dimethylpyridine

Structural Information

Molecular Formula
C7H8BrN
SMILES
CC1=CC(=C(N=C1)Br)C
InChI
InChI=1S/C7H8BrN/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
InChIKey
JHGGKVFEGBEWQR-UHFFFAOYSA-N
Compound name
2-bromo-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

184.98401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99129 127.6
[M+Na]+ 207.97323 140.9
[M-H]- 183.97673 133.3
[M+NH4]+ 203.01783 150.4
[M+K]+ 223.94717 130.5
[M+H-H2O]+ 167.98127 128.1
[M+HCOO]- 229.98221 149.2
[M+CH3COO]- 243.99786 181.0
[M+Na-2H]- 205.95868 136.8
[M]+ 184.98346 146.7
[M]- 184.98456 146.7
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