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]+ 265.122296 161.1
[M+Na]+ 287.104238 166.9
[M-H]- 263.107744 167.4
[M+NH4]+ 282.148843 177.0
[M+K]+ 303.078178 162.9
[M+H-H2O]+ 247.112280 153.5
[M+HCOO]- 309.113221 182.1
[M+CH3COO]- 323.128871 198.7
[M+Na-2H]- 285.089686 162.7
[M]+ 264.11447142 160.8
[M]- 264.11556858 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.