CID 46937114

(rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride

Structural Information

Molecular Formula
C11H16ClO3P
SMILES
CC[C@H](COC1=CC=CC=C1)O[P@](=O)(C)Cl
InChI
InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1
InChIKey
YEIXDWIEYXZUBR-QLJPJBMISA-N
Compound name
[(2R)-2-[chloro(methyl)phosphoryl]oxybutoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.05255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05983 157.5
[M+Na]+ 285.04177 164.8
[M-H]- 261.04527 159.9
[M+NH4]+ 280.08637 175.7
[M+K]+ 301.01571 162.1
[M+H-H2O]+ 245.04981 150.1
[M+HCOO]- 307.05075 180.4
[M+CH3COO]- 321.06640 194.5
[M+Na-2H]- 283.02722 160.1
[M]+ 262.05200 164.3
[M]- 262.05310 164.3
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.