CID 367445

Nsc637169

Structural Information

Molecular Formula
C18H16O2
SMILES
CC(=O)C(=CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C18H16O2/c1-13(19)18(14(2)20)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKey
KKBSMIGWEGHAQJ-UHFFFAOYSA-N
Compound name
3-[(4-phenylphenyl)methylidene]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11502 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 161.1
[M+Na]+ 287.10424 166.9
[M-H]- 263.10774 167.4
[M+NH4]+ 282.14884 177.0
[M+K]+ 303.07818 162.9
[M+H-H2O]+ 247.11228 153.5
[M+HCOO]- 309.11322 182.1
[M+CH3COO]- 323.12887 198.7
[M+Na-2H]- 285.08969 162.7
[M]+ 264.11447 160.8
[M]- 264.11557 160.8
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.