CID 69741

714-87-4

Structural Information

Molecular Formula
C5H8Cl2O6P2
SMILES
C1C2(COP(=O)(O1)Cl)COP(=O)(OC2)Cl
InChI
InChI=1S/C5H8Cl2O6P2/c6-14(8)10-1-5(2-11-14)3-12-15(7,9)13-4-5/h1-4H2
InChIKey
OCSPARJUBMYNLY-UHFFFAOYSA-N
Compound name
3,9-dichloro-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

78
Patents

295.91733 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.92461 146.3
[M+Na]+ 318.90655 155.6
[M-H]- 294.91005 152.4
[M+NH4]+ 313.95115 164.5
[M+K]+ 334.88049 158.3
[M+H-H2O]+ 278.91459 140.1
[M+HCOO]- 340.91553 163.4
[M+CH3COO]- 354.93118 192.9
[M+Na-2H]- 316.89200 153.7
[M]+ 295.91678 151.2
[M]- 295.91788 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe