CID 203539

14663-70-8

Structural Information

Molecular Formula
C16H16Cl5O6P
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCC(CCl)Cl)OCC(CCl)Cl)Cl
InChI
InChI=1S/C16H16Cl5O6P/c1-9-13-3-2-12(4-14(13)26-16(22)15(9)21)27-28(23,24-7-10(19)5-17)25-8-11(20)6-18/h2-4,10-11H,5-8H2,1H3
InChIKey
WUBZDUFGMMDHBA-UHFFFAOYSA-N
Compound name
(3-chloro-4-methyl-2-oxochromen-7-yl) bis(2,3-dichloropropyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.91272 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.92000 202.6
[M+Na]+ 532.90194 214.5
[M+NH4]+ 527.94654 207.2
[M+K]+ 548.87588 208.0
[M-H]- 508.90544 201.9
[M+Na-2H]- 530.88739 204.1
[M]+ 509.91217 205.2
[M]- 509.91327 205.2
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.