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]+ 290.91805 131.8
[M+Na]+ 312.89999 136.3
[M-H]- 288.90349 126.9
[M+NH4]+ 307.94459 146.5
[M+K]+ 328.87393 137.6
[M+H-H2O]+ 272.90803 121.8
[M+HCOO]- 334.90897 144.5
[M+CH3COO]- 348.92462 141.7
[M+Na-2H]- 310.88544 130.4
[M]+ 289.91022 131.4
[M]- 289.91132 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.