CID 77202

3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Structural Information

Molecular Formula
C5H8Cl2O4P2
SMILES
C1C2(COP(O1)Cl)COP(OC2)Cl
InChI
InChI=1S/C5H8Cl2O4P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2
InChIKey
KHUMEUDRBMWIBR-UHFFFAOYSA-N
Compound name
3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

263.9275 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.93478 154.1
[M+Na]+ 286.91672 161.1
[M-H]- 262.92022 159.0
[M+NH4]+ 281.96132 169.6
[M+K]+ 302.89066 162.9
[M+H-H2O]+ 246.92476 146.0
[M+HCOO]- 308.92570 170.0
[M+CH3COO]- 322.94135 190.3
[M+Na-2H]- 284.90217 156.9
[M]+ 263.92695 156.2
[M]- 263.92805 156.2
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