CID 209920

20757-80-6

Structural Information

Molecular Formula
C11H10Cl6
SMILES
C1CCC2C(C1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H10Cl6/c12-7-8(13)10(15)6-4-2-1-3-5(6)9(7,14)11(10,16)17/h5-6H,1-4H2
InChIKey
KDWONYYBMDSNMU-UHFFFAOYSA-N
Compound name
1,8,9,10,11,11-hexachlorotricyclo[6.2.1.02,7]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

351.89136 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.898636 180.7
[M+Na]+ 374.880578 190.2
[M-H]- 350.884084 177.1
[M+NH4]+ 369.925183 202.2
[M+K]+ 390.854518 183.1
[M+H-H2O]+ 334.888620 179.0
[M+HCOO]- 396.889561 168.9
[M+CH3COO]- 410.905211 186.8
[M+Na-2H]- 372.866026 177.4
[M]+ 351.89081142 175.4
[M]- 351.89190858 175.4
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

patents stripe