CID 10847607

3-chloro-2-iodopyridine

Structural Information

Molecular Formula
C5H3ClIN
SMILES
C1=CC(=C(N=C1)I)Cl
InChI
InChI=1S/C5H3ClIN/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey
LTCHVAFYGVXKHH-UHFFFAOYSA-N
Compound name
3-chloro-2-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

238.89987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.90715 123.9
[M+Na]+ 261.88909 127.3
[M-H]- 237.89259 119.5
[M+NH4]+ 256.93369 140.6
[M+K]+ 277.86303 130.0
[M+H-H2O]+ 221.89713 115.3
[M+HCOO]- 283.89807 138.8
[M+CH3COO]- 297.91372 179.0
[M+Na-2H]- 259.87454 121.0
[M]+ 238.89932 122.6
[M]- 238.90042 122.6
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

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