CID 5373276

(1e,4e)-1,5-bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one

Structural Information

Molecular Formula
C19H12F6O
SMILES
C1=CC(=CC=C1/C=C/C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H12F6O/c20-18(21,22)15-7-1-13(2-8-15)5-11-17(26)12-6-14-3-9-16(10-4-14)19(23,24)25/h1-12H/b11-5+,12-6+
InChIKey
OIUBVYQZMUKRRF-YDWXAUTNSA-N
Compound name
(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

370.07922 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08650 181.1
[M+Na]+ 393.06844 189.6
[M-H]- 369.07194 179.9
[M+NH4]+ 388.11304 193.2
[M+K]+ 409.04238 182.0
[M+H-H2O]+ 353.07648 168.6
[M+HCOO]- 415.07742 193.9
[M+CH3COO]- 429.09307 214.3
[M+Na-2H]- 391.05389 181.6
[M]+ 370.07867 173.0
[M]- 370.07977 173.0
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.