CID 154814443

2551116-03-9

Structural Information

Molecular Formula
C7H6F3NO2
SMILES
C1=CC(=O)NC(=C1)C(C(F)(F)F)O
InChI
InChI=1S/C7H6F3NO2/c8-7(9,10)6(13)4-2-1-3-5(12)11-4/h1-3,6,13H,(H,11,12)
InChIKey
JNNPQZBANUULCB-UHFFFAOYSA-N
Compound name
6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03506 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04234 133.7
[M+Na]+ 216.02428 142.6
[M-H]- 192.02778 129.8
[M+NH4]+ 211.06888 150.5
[M+K]+ 231.99822 139.2
[M+H-H2O]+ 176.03232 125.7
[M+HCOO]- 238.03326 149.4
[M+CH3COO]- 252.04891 175.8
[M+Na-2H]- 214.00973 138.9
[M]+ 193.03451 127.3
[M]- 193.03561 127.3
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

No patent data available for this compound.