CID 6477111

Nsc636959

Structural Information

Molecular Formula
C17H13FO2
SMILES
CC(=O)/C(=C\C1=CC(=CC=C1)F)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H13FO2/c1-12(19)16(11-13-6-5-9-15(18)10-13)17(20)14-7-3-2-4-8-14/h2-11H,1H3/b16-11+
InChIKey
QPPNTDVFLSMJGN-LFIBNONCSA-N
Compound name
(2E)-2-[(3-fluorophenyl)methylidene]-1-phenylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08997 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09725 159.7
[M+Na]+ 291.07919 166.0
[M-H]- 267.08269 164.8
[M+NH4]+ 286.12379 175.4
[M+K]+ 307.05313 161.8
[M+H-H2O]+ 251.08723 151.3
[M+HCOO]- 313.08817 180.0
[M+CH3COO]- 327.10382 198.3
[M+Na-2H]- 289.06464 161.2
[M]+ 268.08942 157.9
[M]- 268.09052 157.9
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.