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 193.6
[M+Na]+ 532.90194 202.2
[M-H]- 508.90544 194.3
[M+NH4]+ 527.94654 202.6
[M+K]+ 548.87588 199.7
[M+H-H2O]+ 492.90998 189.1
[M+HCOO]- 554.91092 192.4
[M+CH3COO]- 568.92657 234.8
[M+Na-2H]- 530.88739 191.7
[M]+ 509.91217 204.3
[M]- 509.91327 204.3
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.