CID 95809

Perchlorofulvalene

Structural Information

Molecular Formula
C10Cl8
SMILES
C1(=C2C(=C(C(=C2Cl)Cl)Cl)Cl)C(=C(C(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C10Cl8/c11-3-1(4(12)8(16)7(3)15)2-5(13)9(17)10(18)6(2)14
InChIKey
KWINUFZNQMNMJP-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

399.75082 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.758096 206.4
[M+Na]+ 422.740038 213.5
[M-H]- 398.743544 199.8
[M+NH4]+ 417.784643 216.0
[M+K]+ 438.713978 209.9
[M+H-H2O]+ 382.748080 201.9
[M+HCOO]- 444.749021 189.9
[M+CH3COO]- 458.764671 207.9
[M+Na-2H]- 420.725486 193.1
[M]+ 399.75027142 196.8
[M]- 399.75136858 196.8
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