CID 13358088

Refchem:394674

Structural Information

Molecular Formula
C9H11Cl2O4P
SMILES
CC1=CC(=C(C(=C1)Cl)OP(=O)(OC)OC)Cl
InChI
InChI=1S/C9H11Cl2O4P/c1-6-4-7(10)9(8(11)5-6)15-16(12,13-2)14-3/h4-5H,1-3H3
InChIKey
BOSJFUZJSJPPQY-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-methylphenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7
Patents

283.9772 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98448 151.9
[M+Na]+ 306.96642 163.4
[M-H]- 282.96992 155.2
[M+NH4]+ 302.01102 170.6
[M+K]+ 322.94036 160.0
[M+H-H2O]+ 266.97446 146.3
[M+HCOO]- 328.97540 171.6
[M+CH3COO]- 342.99105 197.8
[M+Na-2H]- 304.95187 154.8
[M]+ 283.97665 162.1
[M]- 283.97775 162.1
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.