CID 165943386

5-bromo-3-(bromomethyl)-2-methoxy-4-methylpyridine

Structural Information

Molecular Formula
C8H9Br2NO
SMILES
CC1=C(C(=NC=C1Br)OC)CBr
InChI
InChI=1S/C8H9Br2NO/c1-5-6(3-9)8(12-2)11-4-7(5)10/h4H,3H2,1-2H3
InChIKey
DLAYDDXLVDTJOO-UHFFFAOYSA-N
Compound name
5-bromo-3-(bromomethyl)-2-methoxy-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.9051 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.91238 135.7
[M+Na]+ 315.89432 147.9
[M-H]- 291.89782 142.0
[M+NH4]+ 310.93892 154.7
[M+K]+ 331.86826 133.0
[M+H-H2O]+ 275.90236 143.7
[M+HCOO]- 337.90330 151.9
[M+CH3COO]- 351.91895 203.8
[M+Na-2H]- 313.87977 143.4
[M]+ 292.90455 171.7
[M]- 292.90565 171.7
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

No patent data available for this compound.