CID 89346

Bicyclo(2.2.1)hepta-2,5-diene, 1,2,3,4,5,7,7-heptachloro-

Structural Information

Molecular Formula
C7HCl7
SMILES
C1=C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C7HCl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1H
InChIKey
NSLUNJDAHOVMDS-UHFFFAOYSA-N
Compound name
1,2,3,4,5,7,7-heptachlorobicyclo[2.2.1]hepta-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.7898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.79708 173.7
[M+Na]+ 352.77902 183.2
[M-H]- 328.78252 167.9
[M+NH4]+ 347.82362 192.6
[M+K]+ 368.75296 177.9
[M+H-H2O]+ 312.78706 172.8
[M+HCOO]- 374.78800 161.4
[M+CH3COO]- 388.80365 179.2
[M+Na-2H]- 350.76447 170.3
[M]+ 329.78925 167.6
[M]- 329.79035 167.6
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

No patent data available for this compound.