CID 102415

3447-87-8

Structural Information

Molecular Formula
C9H5Cl7O2
SMILES
C12C(C(OC1Cl)Cl)C3(C(=O)C(C2(C3(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H5Cl7O2/c10-3-4(17)8(14)2-1(5(11)18-6(2)12)7(3,13)9(8,15)16/h1-3,5-6H
InChIKey
KPHDFTRBKVDNNB-UHFFFAOYSA-N
Compound name
1,3,5,7,9,10,10-heptachloro-4-oxatricyclo[5.2.1.02,6]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.8109 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.81818 191.1
[M+Na]+ 412.80012 199.8
[M-H]- 388.80362 186.3
[M+NH4]+ 407.84472 209.2
[M+K]+ 428.77406 195.5
[M+H-H2O]+ 372.80816 190.9
[M+HCOO]- 434.80910 175.1
[M+CH3COO]- 448.82475 195.4
[M+Na-2H]- 410.78557 184.7
[M]+ 389.81035 184.6
[M]- 389.81145 184.6
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.