CID 11046097

Indanofan

Structural Information

Molecular Formula
C20H17ClO3
SMILES
CCC1(C(=O)C2=CC=CC=C2C1=O)CC3(CO3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H17ClO3/c1-2-19(17(22)15-8-3-4-9-16(15)18(19)23)11-20(12-24-20)13-6-5-7-14(21)10-13/h3-10H,2,11-12H2,1H3
InChIKey
PMAAYIYCDXGUAP-UHFFFAOYSA-N
Compound name
2-[[2-(3-chlorophenyl)oxiran-2-yl]methyl]-2-ethylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

16280
Patents

340.0866 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09388 174.2
[M+Na]+ 363.07582 186.6
[M-H]- 339.07932 186.4
[M+NH4]+ 358.12042 189.3
[M+K]+ 379.04976 182.3
[M+H-H2O]+ 323.08386 168.8
[M+HCOO]- 385.08480 190.5
[M+CH3COO]- 399.10045 186.8
[M+Na-2H]- 361.06127 178.4
[M]+ 340.08605 182.4
[M]- 340.08715 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe