CID 68712936

2,3,5-trifluoro-4-iodopyridine

Structural Information

Molecular Formula
C5HF3IN
SMILES
C1=C(C(=C(C(=N1)F)F)I)F
InChI
InChI=1S/C5HF3IN/c6-2-1-10-5(8)3(7)4(2)9/h1H
InChIKey
NAYYALVHPYUOFN-UHFFFAOYSA-N
Compound name
2,3,5-trifluoro-4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

258.91058 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.91786 123.9
[M+Na]+ 281.89980 128.5
[M-H]- 257.90330 116.6
[M+NH4]+ 276.94440 139.5
[M+K]+ 297.87374 131.9
[M+H-H2O]+ 241.90784 112.5
[M+HCOO]- 303.90878 140.2
[M+CH3COO]- 317.92443 185.3
[M+Na-2H]- 279.88525 118.6
[M]+ 258.91003 118.4
[M]- 258.91113 118.4
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