CID 5373276

103836-71-1

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

62
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

literature stripe

Patent stripe

patents stripe