CID 3057164

73972-75-5

Structural Information

Molecular Formula
C11H14ClO4P
SMILES
CC1CCOP(=O)(O1)OC2=CC(=C(C=C2)Cl)C
InChI
InChI=1S/C11H14ClO4P/c1-8-7-10(3-4-11(8)12)16-17(13)14-6-5-9(2)15-17/h3-4,7,9H,5-6H2,1-2H3
InChIKey
JCMXSOGQOAFGSY-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03183 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03911 157.0
[M+Na]+ 299.02105 166.1
[M-H]- 275.02455 164.3
[M+NH4]+ 294.06565 174.2
[M+K]+ 314.99499 165.7
[M+H-H2O]+ 259.02909 149.4
[M+HCOO]- 321.03003 177.9
[M+CH3COO]- 335.04568 195.5
[M+Na-2H]- 297.00650 160.4
[M]+ 276.03128 161.9
[M]- 276.03238 161.9
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.