CID 11653637

875577-99-4

Structural Information

Molecular Formula
C17H22ClO5P
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(C)OC(C)C(C)(C)C)Cl
InChI
InChI=1S/C17H22ClO5P/c1-10-13-8-7-12(9-14(13)21-16(19)15(10)18)23-24(6,20)22-11(2)17(3,4)5/h7-9,11H,1-6H3
InChIKey
CYDMOFDZVMDHJF-UHFFFAOYSA-N
Compound name
3-chloro-7-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08932 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09660 184.0
[M+Na]+ 395.07854 194.0
[M-H]- 371.08204 189.1
[M+NH4]+ 390.12314 198.5
[M+K]+ 411.05248 192.3
[M+H-H2O]+ 355.08658 176.6
[M+HCOO]- 417.08752 202.6
[M+CH3COO]- 431.10317 218.1
[M+Na-2H]- 393.06399 186.8
[M]+ 372.08877 195.3
[M]- 372.08987 195.3
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.