CID 92985

Phosphonic acid, (1-(((2-chloroethoxy)(2-chloroethyl)phosphinyl)oxy)ethyl)-, 1-(bis(2-chloroethoxy)phosphinyl)ethyl 2-chloroethyl ester

Structural Information

Molecular Formula
C14H28Cl5O9P3
SMILES
CC(OP(=O)(C(C)OP(=O)(CCCl)OCCCl)OCCCl)P(=O)(OCCCl)OCCCl
InChI
InChI=1S/C14H28Cl5O9P3/c1-13(27-29(20,12-7-19)23-8-3-15)31(22,26-11-6-18)28-14(2)30(21,24-9-4-16)25-10-5-17/h13-14H,3-12H2,1-2H3
InChIKey
QDLQFWNOQPOPHV-UHFFFAOYSA-N
Compound name
1-[bis(2-chloroethoxy)phosphoryl]-1-[2-chloroethoxy-[1-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethyl]phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

61
Patents

607.9389 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.94618 224.2
[M+Na]+ 630.92812 229.0
[M-H]- 606.93162 228.1
[M+NH4]+ 625.97272 237.4
[M+K]+ 646.90206 226.6
[M+H-H2O]+ 590.93616 208.7
[M+HCOO]- 652.93710 241.2
[M+CH3COO]- 666.95275 247.5
[M+Na-2H]- 628.91357 214.4
[M]+ 607.93835 237.9
[M]- 607.93945 237.9
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