CID 118210958

Butyl (3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro(4.5)dec-3-en-4-yl) carbonate

Structural Information

Molecular Formula
C20H22Cl2O5
SMILES
CCCCOC(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H22Cl2O5/c1-2-3-11-25-19(24)26-17-16(14-8-7-13(21)12-15(14)22)18(23)27-20(17)9-5-4-6-10-20/h7-8,12H,2-6,9-11H2,1H3
InChIKey
HEOYPZMAGQITRO-UHFFFAOYSA-N
Compound name
butyl [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1556
Patents

412.08444 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.09172 193.8
[M+Na]+ 435.07366 201.5
[M-H]- 411.07716 202.3
[M+NH4]+ 430.11826 208.6
[M+K]+ 451.04760 197.0
[M+H-H2O]+ 395.08170 188.1
[M+HCOO]- 457.08264 202.4
[M+CH3COO]- 471.09829 217.7
[M+Na-2H]- 433.05911 192.4
[M]+ 412.08389 199.3
[M]- 412.08499 199.3
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

patents stripe