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
1
Annotation Hits

0
References

42
Patents

305.7898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.79708 164.5
[M+Na]+ 328.77902 172.2
[M-H]- 304.78252 158.6
[M+NH4]+ 323.82362 180.2
[M+K]+ 344.75296 168.3
[M+H-H2O]+ 288.78706 163.7
[M+HCOO]- 350.78800 152.1
[M+CH3COO]- 364.80365 170.0
[M+Na-2H]- 326.76447 160.4
[M]+ 305.78925 156.4
[M]- 305.79035 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