CID 6477159

Nsc690741

Structural Information

Molecular Formula
C21H18F2O
SMILES
CC\1CC/C(=C/C2=CC=C(C=C2)F)/C(=O)/C1=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C21H18F2O/c1-14-2-7-17(12-15-3-8-18(22)9-4-15)21(24)20(14)13-16-5-10-19(23)11-6-16/h3-6,8-14H,2,7H2,1H3/b17-12-,20-13+
InChIKey
UEYYHMGQSHKMPJ-XYGMCREWSA-N
Compound name
(2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]-3-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13257 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13985 175.9
[M+Na]+ 347.12179 183.5
[M-H]- 323.12529 182.6
[M+NH4]+ 342.16639 190.0
[M+K]+ 363.09573 175.8
[M+H-H2O]+ 307.12983 165.3
[M+HCOO]- 369.13077 193.5
[M+CH3COO]- 383.14642 209.5
[M+Na-2H]- 345.10724 174.6
[M]+ 324.13202 169.3
[M]- 324.13312 169.3
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.