CID 92444

(1r,7s)-2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene

Structural Information

Molecular Formula
C10H6Cl6
SMILES
C1[C@H]2C3C([C@@H]1C(=C(C3(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6/c11-5-3-1-2-4(5)10(16,8(14)6(2)12)9(15)7(3)13/h2-5H,1H2/t2-,3+,4?,5?,10?/m0/s1
InChIKey
OSFPUJNCRLXHDW-VPQDZJFTSA-N
Compound name
(1R,7S)-2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.86008 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.867356 182.5
[M+Na]+ 358.849298 192.8
[M-H]- 334.852804 178.4
[M+NH4]+ 353.893903 202.0
[M+K]+ 374.823238 186.5
[M+H-H2O]+ 318.857340 181.0
[M+HCOO]- 380.858281 171.4
[M+CH3COO]- 394.873931 189.0
[M+Na-2H]- 356.834746 177.4
[M]+ 335.85953142 179.8
[M]- 335.86062858 179.8
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.