CID 4084871

1,1,1-trifluoro-4-phenyl-but-3-en-2-one

Structural Information

Molecular Formula
C10H7F3O
SMILES
C1=CC=C(C=C1)C=CC(=O)C(F)(F)F
InChI
InChI=1S/C10H7F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
ADEYYFREIBSWFP-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

98
Patents

200.0449 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05218 146.6
[M+Na]+ 223.03412 155.7
[M+NH4]+ 218.07872 152.2
[M+K]+ 239.00806 150.0
[M-H]- 199.03762 143.3
[M+Na-2H]- 221.01957 150.9
[M]+ 200.04435 146.7
[M]- 200.04545 146.7
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