CID 76816

3309-75-9

Structural Information

Molecular Formula
C4H11ClO7P2
SMILES
COP(=O)(OC)OP(=O)(OC)OCCl
InChI
InChI=1S/C4H11ClO7P2/c1-8-13(6,9-2)12-14(7,10-3)11-4-5/h4H2,1-3H3
InChIKey
IEMSLTORIGZKGC-UHFFFAOYSA-N
Compound name
[chloromethoxy(methoxy)phosphoryl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.96686 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97414 147.6
[M+Na]+ 290.95608 156.7
[M-H]- 266.95958 146.8
[M+NH4]+ 286.00068 166.4
[M+K]+ 306.93002 157.6
[M+H-H2O]+ 250.96412 140.2
[M+HCOO]- 312.96506 177.0
[M+CH3COO]- 326.98071 192.5
[M+Na-2H]- 288.94153 153.1
[M]+ 267.96631 161.1
[M]- 267.96741 161.1
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.