CID 46315209

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

Structural Information

Molecular Formula
C6H3F3INO
SMILES
C1=C(C(=O)NC=C1C(F)(F)F)I
InChI
InChI=1S/C6H3F3INO/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,(H,11,12)
InChIKey
WXQOUIYEDNDHRI-UHFFFAOYSA-N
Compound name
3-iodo-5-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

288.92114 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.92842 135.9
[M+Na]+ 311.91036 139.5
[M-H]- 287.91386 127.2
[M+NH4]+ 306.95496 149.5
[M+K]+ 327.88430 141.9
[M+H-H2O]+ 271.91840 124.7
[M+HCOO]- 333.91934 149.3
[M+CH3COO]- 347.93499 185.3
[M+Na-2H]- 309.89581 130.5
[M]+ 288.92059 128.6
[M]- 288.92169 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

No literature data available for this compound.

Patent stripe

patents stripe