CID 58067814

5-(4-chlorophenyl)-3-iodopyridin-2-amine

Structural Information

Molecular Formula
C11H8ClIN2
SMILES
C1=CC(=CC=C1C2=CC(=C(N=C2)N)I)Cl
InChI
InChI=1S/C11H8ClIN2/c12-9-3-1-7(2-4-9)8-5-10(13)11(14)15-6-8/h1-6H,(H2,14,15)
InChIKey
VLRDEPIZZIQTOS-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-iodopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

329.94208 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94936 153.6
[M+Na]+ 352.93130 156.8
[M-H]- 328.93480 151.6
[M+NH4]+ 347.97590 166.3
[M+K]+ 368.90524 156.9
[M+H-H2O]+ 312.93934 143.0
[M+HCOO]- 374.94028 168.2
[M+CH3COO]- 388.95593 162.3
[M+Na-2H]- 350.91675 147.7
[M]+ 329.94153 151.1
[M]- 329.94263 151.1
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

patents stripe