CID 6380659

Nsc705590

Structural Information

Molecular Formula
C20H16F2O3
SMILES
C1C/C(=C/C2=CC(=C(C=C2)O)F)/C(=O)/C(=C\C3=CC(=C(C=C3)O)F)/C1
InChI
InChI=1S/C20H16F2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8-,15-9-
InChIKey
BIBCJRNVCKNZOU-SFGFDRCGSA-N
Compound name
(2Z,6Z)-2,6-bis[(3-fluoro-4-hydroxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10675 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11403 178.6
[M+Na]+ 365.09597 186.4
[M-H]- 341.09947 183.2
[M+NH4]+ 360.14057 190.7
[M+K]+ 381.06991 178.7
[M+H-H2O]+ 325.10401 168.7
[M+HCOO]- 387.10495 193.9
[M+CH3COO]- 401.12060 207.4
[M+Na-2H]- 363.08142 176.5
[M]+ 342.10620 171.4
[M]- 342.10730 171.4
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

No patent data available for this compound.