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

2
Patents

351.89136 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.89864 180.7
[M+Na]+ 374.88058 190.2
[M-H]- 350.88408 177.1
[M+NH4]+ 369.92518 202.2
[M+K]+ 390.85452 183.1
[M+H-H2O]+ 334.88862 179.0
[M+HCOO]- 396.88956 168.9
[M+CH3COO]- 410.90521 186.8
[M+Na-2H]- 372.86603 177.4
[M]+ 351.89081 175.4
[M]- 351.89191 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