CID 26807

14663-67-3

Structural Information

Molecular Formula
C16H20ClO6P
SMILES
CCCOP(=O)(OCCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C
InChI
InChI=1S/C16H20ClO6P/c1-4-8-20-24(19,21-9-5-2)23-12-6-7-13-11(3)15(17)16(18)22-14(13)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
HJZUCUDWNHJSKD-UHFFFAOYSA-N
Compound name
(3-chloro-4-methyl-2-oxochromen-7-yl) dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0686 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07588 180.4
[M+Na]+ 397.05782 193.6
[M+NH4]+ 392.10242 186.1
[M+K]+ 413.03176 187.9
[M-H]- 373.06132 181.8
[M+Na-2H]- 395.04327 183.8
[M]+ 374.06805 182.9
[M]- 374.06915 182.9
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.