CID 209125

Diethyl (diethoxyphosphinyl-2,2-dichloro)vinyl phosphate

Structural Information

Molecular Formula
C10H20Cl2O7P2
SMILES
CCOP(=O)(C(=C(Cl)Cl)OP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C10H20Cl2O7P2/c1-5-15-20(13,16-6-2)10(9(11)12)19-21(14,17-7-3)18-8-4/h5-8H2,1-4H3
InChIKey
ZRRMWJFUWMTLCK-UHFFFAOYSA-N
Compound name
(2,2-dichloro-1-diethoxyphosphorylethenyl) diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.00613 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.01341 174.5
[M+Na]+ 406.99535 192.3
[M-H]- 382.99885 186.2
[M+NH4]+ 402.03995 195.1
[M+K]+ 422.96929 180.0
[M+H-H2O]+ 367.00339 167.7
[M+HCOO]- 429.00433 204.2
[M+CH3COO]- 443.01998 214.1
[M+Na-2H]- 404.98080 175.1
[M]+ 384.00558 190.6
[M]- 384.00668 190.6
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