CID 84619

14745-61-0

Structural Information

Molecular Formula
C18H22Cl3O6P
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCCCl)OCCCCCl)Cl
InChI
InChI=1S/C18H22Cl3O6P/c1-13-15-7-6-14(12-16(15)26-18(22)17(13)21)27-28(23,24-10-4-2-8-19)25-11-5-3-9-20/h6-7,12H,2-5,8-11H2,1H3
InChIKey
MPSBJALJTVPVHN-UHFFFAOYSA-N
Compound name
bis(4-chlorobutyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.02197 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.02925 198.9
[M+Na]+ 493.01119 212.2
[M+NH4]+ 488.05579 204.3
[M+K]+ 508.98513 204.7
[M-H]- 469.01469 199.7
[M+Na-2H]- 490.99664 201.6
[M]+ 470.02142 201.8
[M]- 470.02252 201.8
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.