CID 12214811

1h-indene, 1,1,2,3,4,5,6,7-octachloro-

Structural Information

Molecular Formula
C9Cl8
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(C(=C2Cl)Cl)(Cl)Cl
InChI
InChI=1S/C9Cl8/c10-3-1-2(5(12)7(14)6(3)13)9(16,17)8(15)4(1)11
InChIKey
YIMCJQRSYSGJGZ-UHFFFAOYSA-N
Compound name
1,1,2,3,4,5,6,7-octachloroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

387.75082 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.75810 190.4
[M+Na]+ 410.74004 197.9
[M-H]- 386.74354 182.5
[M+NH4]+ 405.78464 201.5
[M+K]+ 426.71398 195.2
[M+H-H2O]+ 370.74808 188.0
[M+HCOO]- 432.74902 173.2
[M+CH3COO]- 446.76467 192.8
[M+Na-2H]- 408.72549 182.1
[M]+ 387.75027 181.7
[M]- 387.75137 181.7
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