CID 71300231

2-chloro-3-iodo-5-methyl-1,6-naphthyridine

Structural Information

Molecular Formula
C9H6ClIN2
SMILES
CC1=NC=CC2=NC(=C(C=C12)I)Cl
InChI
InChI=1S/C9H6ClIN2/c1-5-6-4-7(11)9(10)13-8(6)2-3-12-5/h2-4H,1H3
InChIKey
SIQXQAGZZMBTNP-UHFFFAOYSA-N
Compound name
2-chloro-3-iodo-5-methyl-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.92642 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.93370 136.2
[M+Na]+ 326.91564 141.2
[M-H]- 302.91914 131.5
[M+NH4]+ 321.96024 150.6
[M+K]+ 342.88958 142.2
[M+H-H2O]+ 286.92368 126.2
[M+HCOO]- 348.92462 148.6
[M+CH3COO]- 362.94027 146.0
[M+Na-2H]- 324.90109 133.6
[M]+ 303.92587 136.5
[M]- 303.92697 136.5
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.