CID 13358088

(2,6-dichloro-4-methylphenyl) dimethyl phosphate

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

2
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

literature stripe

Patent stripe

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