CID 26806

14663-66-2

Structural Information

Molecular Formula
C18H24ClO6P
SMILES
CCCCOP(=O)(OCCCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C
InChI
InChI=1S/C18H24ClO6P/c1-4-6-10-22-26(21,23-11-7-5-2)25-14-8-9-15-13(3)17(19)18(20)24-16(15)12-14/h8-9,12H,4-7,10-11H2,1-3H3
InChIKey
MZJWBPPRJLFUOG-UHFFFAOYSA-N
Compound name
dibutyl (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0999 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10718 189.4
[M+Na]+ 425.08912 202.2
[M+NH4]+ 420.13372 194.8
[M+K]+ 441.06306 196.0
[M-H]- 401.09262 190.7
[M+Na-2H]- 423.07457 192.3
[M]+ 402.09935 191.8
[M]- 402.10045 191.8
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.