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
2
Annotation Hits

0
References

5
Patents

539.6262 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.633476 230.9
[M+Na]+ 562.615418 230.8
[M-H]- 538.618924 217.0
[M+NH4]+ 557.660023 236.0
[M+K]+ 578.589358 232.2
[M+H-H2O]+ 522.623460 226.7
[M+HCOO]- 584.624401 205.3
[M+CH3COO]- 598.640051 223.9
[M+Na-2H]- 560.600866 215.6
[M]+ 539.62565142 209.5
[M]- 539.62674858 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