CID 109936

Cyclopentane, heptachloro-

Structural Information

Molecular Formula
C5H3Cl7
SMILES
C1(C(C(C(C1(Cl)Cl)Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C5H3Cl7/c6-1-2(7)5(11,12)3(8)4(1,9)10/h1-3H
InChIKey
XCEUTYGYMGYCBG-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,5-heptachlorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.80545 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.81273 166.6
[M+Na]+ 330.79467 173.4
[M-H]- 306.79817 160.4
[M+NH4]+ 325.83927 182.1
[M+K]+ 346.76861 169.6
[M+H-H2O]+ 290.80271 165.8
[M+HCOO]- 352.80365 153.1
[M+CH3COO]- 366.81930 171.5
[M+Na-2H]- 328.78012 161.6
[M]+ 307.80490 157.2
[M]- 307.80600 157.2
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