CID 118704344

1227600-97-6

Structural Information

Molecular Formula
C6H3F3INO
SMILES
C1=C(C=C(NC1=O)C(F)(F)F)I
InChI
InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-5(12)11-4/h1-2H,(H,11,12)
InChIKey
ZOEAMBBAILLAAC-UHFFFAOYSA-N
Compound name
4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe