CID 137952210

4-chloro-3-iodo-1,6-naphthyridine

Structural Information

Molecular Formula
C8H4ClIN2
SMILES
C1=CN=CC2=C(C(=CN=C21)I)Cl
InChI
InChI=1S/C8H4ClIN2/c9-8-5-3-11-2-1-7(5)12-4-6(8)10/h1-4H
InChIKey
XCGMJRUBTKJISR-UHFFFAOYSA-N
Compound name
4-chloro-3-iodo-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.91077 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.918046 131.8
[M+Na]+ 312.899988 136.3
[M-H]- 288.903494 126.9
[M+NH4]+ 307.944593 146.5
[M+K]+ 328.873928 137.6
[M+H-H2O]+ 272.908030 121.8
[M+HCOO]- 334.908971 144.5
[M+CH3COO]- 348.924621 141.7
[M+Na-2H]- 310.885436 130.4
[M]+ 289.91022142 131.4
[M]- 289.91131858 131.4
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.