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]+ 375.075876 182.4
[M+Na]+ 397.057818 192.4
[M-H]- 373.061324 187.2
[M+NH4]+ 392.102423 196.5
[M+K]+ 413.031758 190.5
[M+H-H2O]+ 357.065860 174.0
[M+HCOO]- 419.066801 204.1
[M+CH3COO]- 433.082451 216.7
[M+Na-2H]- 395.043266 185.6
[M]+ 374.06805142 195.9
[M]- 374.06914858 195.9
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.