CID 21118579

Nvyppypcovreoq-uhfffaoysa-n

Structural Information

Molecular Formula
C5H3Cl7
SMILES
C1C(C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl
InChI
InChI=1S/C5H3Cl7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
InChIKey
NVYPPYPCOVREOQ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4-heptachlorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.80545 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.812726 162.1
[M+Na]+ 330.794668 168.9
[M-H]- 306.798174 156.2
[M+NH4]+ 325.839273 178.8
[M+K]+ 346.768608 165.0
[M+H-H2O]+ 290.802710 161.8
[M+HCOO]- 352.803651 149.0
[M+CH3COO]- 366.819301 167.3
[M+Na-2H]- 328.780116 158.9
[M]+ 307.80490142 152.7
[M]- 307.80599858 152.7
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.