CID 126850252

3-bromo-5-iodo-6-methoxy-2-methylpyridine

Structural Information

Molecular Formula
C7H7BrINO
SMILES
CC1=NC(=C(C=C1Br)I)OC
InChI
InChI=1S/C7H7BrINO/c1-4-5(8)3-6(9)7(10-4)11-2/h3H,1-2H3
InChIKey
CDXHIBWMWYJNDD-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-2-methoxy-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.87558 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.88286 141.9
[M+Na]+ 349.86480 148.6
[M-H]- 325.86830 141.0
[M+NH4]+ 344.90940 158.6
[M+K]+ 365.83874 144.2
[M+H-H2O]+ 309.87284 138.3
[M+HCOO]- 371.87378 158.5
[M+CH3COO]- 385.88943 194.5
[M+Na-2H]- 347.85025 138.4
[M]+ 326.87503 159.1
[M]- 326.87613 159.1
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.