CID 1551382

Nsc632830

Structural Information

Molecular Formula
C20H16F2O
SMILES
C1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C\C3=CC=C(C=C3)F)/C1
InChI
InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12-,17-13+
InChIKey
STPNBQOTKFPYEG-RFTYBOQRSA-N
Compound name
(2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

310.1169 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12418 171.7
[M+Na]+ 333.10612 178.8
[M-H]- 309.10962 178.2
[M+NH4]+ 328.15072 186.1
[M+K]+ 349.08006 171.3
[M+H-H2O]+ 293.11416 161.1
[M+HCOO]- 355.11510 189.6
[M+CH3COO]- 369.13075 205.3
[M+Na-2H]- 331.09157 171.6
[M]+ 310.11635 164.4
[M]- 310.11745 164.4
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

patents stripe