CID 518882

Hydrogen tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-o,o')europate(1-), compound with dimethylamine (1:1)

Structural Information

Molecular Formula
C10H7F3O2
SMILES
C1=CC=C(C=C1)C(=CC(=O)C(F)(F)F)O
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-6,14H
InChIKey
VVRLQETZGSWUNO-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.03981 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04709 141.2
[M+Na]+ 239.02903 148.6
[M-H]- 215.03253 139.6
[M+NH4]+ 234.07363 158.8
[M+K]+ 255.00297 145.4
[M+H-H2O]+ 199.03707 133.5
[M+HCOO]- 261.03801 158.1
[M+CH3COO]- 275.05366 182.9
[M+Na-2H]- 237.01448 144.9
[M]+ 216.03926 135.6
[M]- 216.04036 135.6
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