CID 85894674

Dm-tmo

Structural Information

Molecular Formula
C8H9Cl2O4P
SMILES
CC1=CC(=C(C(=C1)Cl)OP(=O)(O)OC)Cl
InChI
InChI=1S/C8H9Cl2O4P/c1-5-3-6(9)8(7(10)4-5)14-15(11,12)13-2/h3-4H,1-2H3,(H,11,12)
InChIKey
RMBSXTYRNGGSJM-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-methylphenyl) methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

269.96155 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96883 147.8
[M+Na]+ 292.95077 159.3
[M-H]- 268.95427 150.0
[M+NH4]+ 287.99537 166.4
[M+K]+ 308.92471 155.3
[M+H-H2O]+ 252.95881 142.8
[M+HCOO]- 314.95975 166.4
[M+CH3COO]- 328.97540 192.3
[M+Na-2H]- 290.93622 150.8
[M]+ 269.96100 155.8
[M]- 269.96210 155.8
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

No patent data available for this compound.