CID 76814

2,2-dichloroethenyl methyl phenyl phosphate

Structural Information

Molecular Formula
C9H9Cl2O4P
SMILES
COP(=O)(OC=C(Cl)Cl)OC1=CC=CC=C1
InChI
InChI=1S/C9H9Cl2O4P/c1-13-16(12,14-7-9(10)11)15-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
PTISDJVTCHQESX-UHFFFAOYSA-N
Compound name
2,2-dichloroethenyl methyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.96155 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96883 152.4
[M+Na]+ 304.95077 161.4
[M-H]- 280.95427 154.9
[M+NH4]+ 299.99537 170.3
[M+K]+ 320.92471 157.6
[M+H-H2O]+ 264.95881 146.3
[M+HCOO]- 326.95975 171.4
[M+CH3COO]- 340.97540 193.5
[M+Na-2H]- 302.93622 156.0
[M]+ 281.96100 160.2
[M]- 281.96210 160.2
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.