CID 26988

Dodecachlorodicyclopentadiene

Structural Information

Molecular Formula
C10Cl12
SMILES
C1(=C(C2(C3(C(C1(C2(Cl)Cl)Cl)(C(=C(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10Cl12/c11-1-2(12)7(17)9(20)5(15,6(1,16)10(7,21)22)3(13)4(14)8(9,18)19
InChIKey
JDEVKPRODHRRNT-UHFFFAOYSA-N
Compound name
1,2,3,4,5,5,6,7,8,9,10,10-dodecachlorotricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

539.6262 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.63348 230.9
[M+Na]+ 562.61542 230.8
[M-H]- 538.61892 217.0
[M+NH4]+ 557.66002 236.0
[M+K]+ 578.58936 232.2
[M+H-H2O]+ 522.62346 226.7
[M+HCOO]- 584.62440 205.3
[M+CH3COO]- 598.64005 223.9
[M+Na-2H]- 560.60087 215.6
[M]+ 539.62565 209.5
[M]- 539.62675 209.5
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