CID 6436796

35444-14-5

Structural Information

Molecular Formula
C13H8F6O
SMILES
C1=CC=C(C=C1)/C=C\C(=O)C=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C13H8F6O/c14-12(15,16)11(13(17,18)19)8-10(20)7-6-9-4-2-1-3-5-9/h1-8H/b7-6-
InChIKey
LXNIKNRXUBXSRA-SREVYHEPSA-N
Compound name
(1Z)-6,6,6-trifluoro-1-phenyl-5-(trifluoromethyl)hexa-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.04794 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05522 158.5
[M+Na]+ 317.03716 166.1
[M-H]- 293.04066 154.0
[M+NH4]+ 312.08176 173.4
[M+K]+ 333.01110 161.1
[M+H-H2O]+ 277.04520 147.8
[M+HCOO]- 339.04614 170.9
[M+CH3COO]- 353.06179 199.3
[M+Na-2H]- 315.02261 160.0
[M]+ 294.04739 149.1
[M]- 294.04849 149.1
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.