CID 13079706

59036-37-2

Structural Information

Molecular Formula
C10H20Cl4O6P2
SMILES
CC(OP(=O)(CCCl)OCCCl)P(=O)(OCCCl)OCCCl
InChI
InChI=1S/C10H20Cl4O6P2/c1-10(20-21(15,9-5-14)17-6-2-11)22(16,18-7-3-12)19-8-4-13/h10H,2-9H2,1H3
InChIKey
PABZQCBAQWYPDY-UHFFFAOYSA-N
Compound name
1-[bis(2-chloroethoxy)phosphoryl]-1-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.9489 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.95618 180.8
[M+Na]+ 460.93812 188.1
[M-H]- 436.94162 178.0
[M+NH4]+ 455.98272 201.6
[M+K]+ 476.91206 184.0
[M+H-H2O]+ 420.94616 175.5
[M+HCOO]- 482.94710 213.2
[M+CH3COO]- 496.96275 222.1
[M+Na-2H]- 458.92357 180.5
[M]+ 437.94835 193.7
[M]- 437.94945 193.7
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.