CID 66545170

2-chloro-5-ethynyl-3-iodo-4-pyridinamine

Structural Information

Molecular Formula
C7H4ClIN2
SMILES
C#CC1=CN=C(C(=C1N)I)Cl
InChI
InChI=1S/C7H4ClIN2/c1-2-4-3-11-7(8)5(9)6(4)10/h1,3H,(H2,10,11)
InChIKey
UHPHNEJXSVUMJX-UHFFFAOYSA-N
Compound name
2-chloro-5-ethynyl-3-iodopyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.91077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.918046 139.3
[M+Na]+ 300.899988 145.4
[M-H]- 276.903494 134.1
[M+NH4]+ 295.944593 152.6
[M+K]+ 316.873928 145.4
[M+H-H2O]+ 260.908030 125.3
[M+HCOO]- 322.908971 149.2
[M+CH3COO]- 336.924621 196.3
[M+Na-2H]- 298.885436 133.1
[M]+ 277.91022142 132.2
[M]- 277.91131858 132.2
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.