CID 98121

Chlordene epoxide

Structural Information

Molecular Formula
C10H6Cl6O
SMILES
C1C2C(C3C1O3)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)4-2(1-3-5(4)17-3)8(6,13)10(9,15)16/h2-5H,1H2
InChIKey
VMNNMBZKONGDDQ-UHFFFAOYSA-N
Compound name
1,8,9,10,11,11-hexachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.85498 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.86226 176.0
[M+Na]+ 374.84420 186.9
[M-H]- 350.84770 174.0
[M+NH4]+ 369.88880 193.6
[M+K]+ 390.81814 181.8
[M+H-H2O]+ 334.85224 175.3
[M+HCOO]- 396.85318 163.9
[M+CH3COO]- 410.86883 182.5
[M+Na-2H]- 372.82965 173.2
[M]+ 351.85443 176.3
[M]- 351.85553 176.3
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