CID 37143

35444-06-5

Structural Information

Molecular Formula
C17H10F6O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H10F6O/c18-16(19,20)15(17(21,22)23)10-14(24)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H
InChIKey
WWNXVJDVYCLEPP-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-1-(4-phenylphenyl)-3-(trifluoromethyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0636 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07088 172.3
[M+Na]+ 367.05282 180.1
[M-H]- 343.05632 171.1
[M+NH4]+ 362.09742 185.1
[M+K]+ 383.02676 174.1
[M+H-H2O]+ 327.06086 160.1
[M+HCOO]- 389.06180 184.6
[M+CH3COO]- 403.07745 209.5
[M+Na-2H]- 365.03827 173.5
[M]+ 344.06305 163.3
[M]- 344.06415 163.3
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.