CID 52523

73806-29-8

Structural Information

Molecular Formula
C12H14Cl6O4
SMILES
CC1(C(C(C1OC(=O)C(Cl)(Cl)Cl)(C)C)OC(=O)C(Cl)(Cl)Cl)C
InChI
InChI=1S/C12H14Cl6O4/c1-9(2)5(21-7(19)11(13,14)15)10(3,4)6(9)22-8(20)12(16,17)18/h5-6H,1-4H3
InChIKey
NZRLFFTYTLCMNM-UHFFFAOYSA-N
Compound name
[2,2,4,4-tetramethyl-3-(2,2,2-trichloroacetyl)oxycyclobutyl] 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.9023 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.90958 168.9
[M+Na]+ 454.89152 175.9
[M-H]- 430.89502 166.9
[M+NH4]+ 449.93612 177.5
[M+K]+ 470.86546 174.3
[M+H-H2O]+ 414.89956 167.5
[M+HCOO]- 476.90050 157.6
[M+CH3COO]- 490.91615 222.9
[M+Na-2H]- 452.87697 168.2
[M]+ 431.90175 176.6
[M]- 431.90285 176.6
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.