CID 11522099

5-iodo-3-(trifluoromethyl)pyridin-2-ol

Structural Information

Molecular Formula
C6H3F3INO
SMILES
C1=C(C(=O)NC=C1I)C(F)(F)F
InChI
InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12)
InChIKey
ACMILMILHHLANU-UHFFFAOYSA-N
Compound name
5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

288.92114 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.928416 135.9
[M+Na]+ 311.910358 139.5
[M-H]- 287.913864 127.2
[M+NH4]+ 306.954963 149.5
[M+K]+ 327.884298 141.9
[M+H-H2O]+ 271.918400 124.7
[M+HCOO]- 333.919341 149.3
[M+CH3COO]- 347.934991 185.3
[M+Na-2H]- 309.895806 130.5
[M]+ 288.92059142 128.6
[M]- 288.92168858 128.6
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