CID 5271414

89210-96-8

Structural Information

Molecular Formula
C16H26ClO4P
SMILES
CCOP(=O)(CCCCCCOC1=CC=C(C=C1)Cl)OCC
InChI
InChI=1S/C16H26ClO4P/c1-3-20-22(18,21-4-2)14-8-6-5-7-13-19-16-11-9-15(17)10-12-16/h9-12H,3-8,13-14H2,1-2H3
InChIKey
GSNSJLNKHZFGRG-UHFFFAOYSA-N
Compound name
1-chloro-4-(6-diethoxyphosphorylhexoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.12573 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13301 183.5
[M+Na]+ 371.11495 189.7
[M-H]- 347.11845 185.2
[M+NH4]+ 366.15955 198.5
[M+K]+ 387.08889 185.9
[M+H-H2O]+ 331.12299 174.9
[M+HCOO]- 393.12393 205.9
[M+CH3COO]- 407.13958 211.8
[M+Na-2H]- 369.10040 184.2
[M]+ 348.12518 194.5
[M]- 348.12628 194.5
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.