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 182.4
[M+Na]+ 397.05782 192.4
[M-H]- 373.06132 187.2
[M+NH4]+ 392.10242 196.5
[M+K]+ 413.03176 190.5
[M+H-H2O]+ 357.06586 174.0
[M+HCOO]- 419.06680 204.1
[M+CH3COO]- 433.08245 216.7
[M+Na-2H]- 395.04327 185.6
[M]+ 374.06805 195.9
[M]- 374.06915 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.