CID 24729532

5-bromo-3-iodo-6-methylpyridin-2-amine

Structural Information

Molecular Formula
C6H6BrIN2
SMILES
CC1=NC(=C(C=C1Br)I)N
InChI
InChI=1S/C6H6BrIN2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
InChIKey
PEDOOHCESFJXBX-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-6-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

311.87592 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.88320 142.2
[M+Na]+ 334.86514 148.4
[M-H]- 310.86864 140.8
[M+NH4]+ 329.90974 158.8
[M+K]+ 350.83908 143.0
[M+H-H2O]+ 294.87318 138.0
[M+HCOO]- 356.87412 159.1
[M+CH3COO]- 370.88977 193.6
[M+Na-2H]- 332.85059 138.1
[M]+ 311.87537 156.1
[M]- 311.87647 156.1
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

patents stripe