CID 214382

33121-92-5

Structural Information

Molecular Formula
C19H11ClO2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=C(C3=O)C=C(C=C4)Cl
InChI
InChI=1S/C19H11ClO2/c20-14-7-8-15-16(10-14)19(22)17(18(15)21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17H
InChIKey
GJNAQAMMRXYLLA-UHFFFAOYSA-N
Compound name
5-chloro-2-naphthalen-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.04477 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05205 169.2
[M+Na]+ 329.03399 181.1
[M-H]- 305.03749 178.5
[M+NH4]+ 324.07859 189.1
[M+K]+ 345.00793 173.4
[M+H-H2O]+ 289.04203 162.7
[M+HCOO]- 351.04297 186.8
[M+CH3COO]- 365.05862 182.2
[M+Na-2H]- 327.01944 172.4
[M]+ 306.04422 172.5
[M]- 306.04532 172.5
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.