CID 1550327

Nsc665377

Structural Information

Molecular Formula
C20H14O
SMILES
C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H14O/c21-20-17(13-16-7-2-4-11-19(16)20)12-15-9-5-8-14-6-1-3-10-18(14)15/h1-12H,13H2/b17-12+
InChIKey
RQGPJWXDRZLKDH-SFQUDFHCSA-N
Compound name
(2E)-2-(naphthalen-1-ylmethylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10446 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11174 162.2
[M+Na]+ 293.09368 171.3
[M-H]- 269.09718 170.9
[M+NH4]+ 288.13828 182.3
[M+K]+ 309.06762 164.1
[M+H-H2O]+ 253.10172 154.7
[M+HCOO]- 315.10266 184.0
[M+CH3COO]- 329.11831 174.8
[M+Na-2H]- 291.07913 166.8
[M]+ 270.10391 161.1
[M]- 270.10501 161.1
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.