CID 350960

3,5-diiodopyridin-2-amine

Structural Information

Molecular Formula
C5H4I2N2
SMILES
C1=C(C=NC(=C1I)N)I
InChI
InChI=1S/C5H4I2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey
QLJWHQFRDOOATP-UHFFFAOYSA-N
Compound name
3,5-diiodopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

345.8464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.85368 138.8
[M+Na]+ 368.83562 133.4
[M-H]- 344.83912 129.5
[M+NH4]+ 363.88022 148.1
[M+K]+ 384.80956 143.1
[M+H-H2O]+ 328.84366 127.0
[M+HCOO]- 390.84460 151.3
[M+CH3COO]- 404.86025 198.4
[M+Na-2H]- 366.82107 127.7
[M]+ 345.84585 132.6
[M]- 345.84695 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe