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
2
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]+ 308.812726 166.6
[M+Na]+ 330.794668 173.4
[M-H]- 306.798174 160.4
[M+NH4]+ 325.839273 182.1
[M+K]+ 346.768608 169.6
[M+H-H2O]+ 290.802710 165.8
[M+HCOO]- 352.803651 153.1
[M+CH3COO]- 366.819301 171.5
[M+Na-2H]- 328.780116 161.6
[M]+ 307.80490142 157.2
[M]- 307.80599858 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