CID 102854

Bay 38920

Structural Information

Molecular Formula
C11H10Cl6O2
SMILES
CC1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H10Cl6O2/c1-4-18-2-5-6(3-19-4)10(15)8(13)7(12)9(5,14)11(10,16)17/h4-6H,2-3H2,1H3
InChIKey
VJWJSBXWCZQODM-UHFFFAOYSA-N
Compound name
1,9,10,11,12,12-hexachloro-5-methyl-4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.8812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.88848 176.7
[M+Na]+ 406.87042 188.6
[M-H]- 382.87392 175.1
[M+NH4]+ 401.91502 194.6
[M+K]+ 422.84436 185.3
[M+H-H2O]+ 366.87846 172.9
[M+HCOO]- 428.87940 165.1
[M+CH3COO]- 442.89505 183.5
[M+Na-2H]- 404.85587 175.6
[M]+ 383.88065 171.9
[M]- 383.88175 171.9
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