CID 545481

Refchem:574363

Structural Information

Molecular Formula
C11H9Cl5O3
SMILES
CC(C)(C)OC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H9Cl5O3/c1-11(2,3)19-10(17)18-9-7(15)5(13)4(12)6(14)8(9)16/h1-3H3
InChIKey
GHBRKMLMVFKZKW-UHFFFAOYSA-N
Compound name
tert-butyl (2,3,4,5,6-pentachlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

363.89944 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.90672 169.0
[M+Na]+ 386.88866 179.5
[M-H]- 362.89216 168.9
[M+NH4]+ 381.93326 183.0
[M+K]+ 402.86260 175.0
[M+H-H2O]+ 346.89670 167.5
[M+HCOO]- 408.89764 165.3
[M+CH3COO]- 422.91329 212.2
[M+Na-2H]- 384.87411 167.4
[M]+ 363.89889 173.5
[M]- 363.89999 173.5
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