CID 112667

63451-46-7

Structural Information

Molecular Formula
C9H16Cl2O8P2
SMILES
C1C2(COP(=O)(O1)OC2)COP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C9H16Cl2O8P2/c10-1-3-14-20(12,15-4-2-11)16-5-9-6-17-21(13,18-7-9)19-8-9/h1-8H2
InChIKey
GFBXHAARYSFJKM-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl) (1-oxo-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octan-4-yl)methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.96976 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.97704 172.1
[M+Na]+ 406.95898 178.1
[M-H]- 382.96248 168.9
[M+NH4]+ 402.00358 190.4
[M+K]+ 422.93292 180.5
[M+H-H2O]+ 366.96702 165.9
[M+HCOO]- 428.96796 182.7
[M+CH3COO]- 442.98361 213.7
[M+Na-2H]- 404.94443 184.7
[M]+ 383.96921 188.1
[M]- 383.97031 188.1
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.