CID 12758

Tetrachlorocyclopentadiene

Structural Information

Molecular Formula
C5H2Cl4
SMILES
C1C(=C(C(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C5H2Cl4/c6-2-1-3(7)5(9)4(2)8/h1H2
InChIKey
RLKOAZNVJZJJFB-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachlorocyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

201.89107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.89835 137.9
[M+Na]+ 224.88029 149.6
[M-H]- 200.88379 138.5
[M+NH4]+ 219.92489 159.4
[M+K]+ 240.85423 143.7
[M+H-H2O]+ 184.88833 135.8
[M+HCOO]- 246.88927 142.8
[M+CH3COO]- 260.90492 184.2
[M+Na-2H]- 222.86574 139.4
[M]+ 201.89052 139.1
[M]- 201.89162 139.1
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