CID 116026

63980-05-2

Structural Information

Molecular Formula
C11H15Cl2O3P
SMILES
CCOP(=O)(CC1=CC(=C(C=C1)Cl)Cl)OCC
InChI
InChI=1S/C11H15Cl2O3P/c1-3-15-17(14,16-4-2)8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3
InChIKey
YLRGYDLFTIIAOG-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-(diethoxyphosphorylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

296.01358 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02086 160.4
[M+Na]+ 319.00280 170.3
[M-H]- 295.00630 163.0
[M+NH4]+ 314.04740 178.5
[M+K]+ 334.97674 165.7
[M+H-H2O]+ 279.01084 154.3
[M+HCOO]- 341.01178 179.2
[M+CH3COO]- 355.02743 200.5
[M+Na-2H]- 316.98825 162.6
[M]+ 296.01303 169.6
[M]- 296.01413 169.6
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

patents stripe