CID 18407040

6-chloro-4-iodopyridin-3-amine

Structural Information

Molecular Formula
C5H4ClIN2
SMILES
C1=C(C(=CN=C1Cl)N)I
InChI
InChI=1S/C5H4ClIN2/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2
InChIKey
UOICMMKVFPTQMX-UHFFFAOYSA-N
Compound name
6-chloro-4-iodopyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

253.91077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.91805 132.7
[M+Na]+ 276.89999 136.1
[M-H]- 252.90349 128.2
[M+NH4]+ 271.94459 148.5
[M+K]+ 292.87393 138.3
[M+H-H2O]+ 236.90803 124.0
[M+HCOO]- 298.90897 147.9
[M+CH3COO]- 312.92462 183.8
[M+Na-2H]- 274.88544 127.9
[M]+ 253.91022 130.1
[M]- 253.91132 130.1
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