CID 73666

Pentachlorocyclopentadiene

Structural Information

Molecular Formula
C5HCl5
SMILES
C1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5HCl5/c6-1-2(7)4(9)5(10)3(1)8/h1H
InChIKey
SPEJYXWMSKCTFT-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachlorocyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

200
Patents

235.8521 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.85938 147.8
[M+Na]+ 258.84132 159.0
[M-H]- 234.84482 146.4
[M+NH4]+ 253.88592 166.9
[M+K]+ 274.81526 153.3
[M+H-H2O]+ 218.84936 145.9
[M+HCOO]- 280.85030 146.8
[M+CH3COO]- 294.86595 192.1
[M+Na-2H]- 256.82677 146.7
[M]+ 235.85155 147.1
[M]- 235.85265 147.1
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