CID 496681

Nsc697389

Structural Information

Molecular Formula
C20H19Cl3O3
SMILES
C1CC(C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C20H19Cl3O3/c21-20(22,23)14-25-18(24)26-17-12-7-13-19(17,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKey
POJZEPVMECUQSP-UHFFFAOYSA-N
Compound name
(2,2-diphenylcyclopentyl) 2,2,2-trichloroethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.03998 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04726 195.2
[M+Na]+ 435.02920 202.1
[M-H]- 411.03270 202.6
[M+NH4]+ 430.07380 210.3
[M+K]+ 451.00314 195.3
[M+H-H2O]+ 395.03724 188.8
[M+HCOO]- 457.03818 200.2
[M+CH3COO]- 471.05383 213.9
[M+Na-2H]- 433.01465 195.5
[M]+ 412.03943 198.7
[M]- 412.04053 198.7
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.