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]+ 278.91805 139.3
[M+Na]+ 300.89999 145.4
[M-H]- 276.90349 134.1
[M+NH4]+ 295.94459 152.6
[M+K]+ 316.87393 145.4
[M+H-H2O]+ 260.90803 125.3
[M+HCOO]- 322.90897 149.2
[M+CH3COO]- 336.92462 196.3
[M+Na-2H]- 298.88544 133.1
[M]+ 277.91022 132.2
[M]- 277.91132 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.