CID 112467

Heptachlorocyclopentene

Structural Information

Molecular Formula
C5HCl7
SMILES
C1(C(=C(C(C1(Cl)Cl)(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5HCl7/c6-1-2(7)4(9,10)5(11,12)3(1)8/h2H
InChIKey
AJUXFTIOMRYFRL-UHFFFAOYSA-N
Compound name
1,2,3,3,4,4,5-heptachlorocyclopentene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

305.7898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.797076 164.5
[M+Na]+ 328.779018 172.2
[M-H]- 304.782524 158.6
[M+NH4]+ 323.823623 180.2
[M+K]+ 344.752958 168.3
[M+H-H2O]+ 288.787060 163.7
[M+HCOO]- 350.788001 152.1
[M+CH3COO]- 364.803651 170.0
[M+Na-2H]- 326.764466 160.4
[M]+ 305.78925142 156.4
[M]- 305.79034858 156.4
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