CID 11688527

875577-95-0

Structural Information

Molecular Formula
C14H16ClO5P
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(C)OC(C)C)Cl
InChI
InChI=1S/C14H16ClO5P/c1-8(2)19-21(4,17)20-10-5-6-11-9(3)13(15)14(16)18-12(11)7-10/h5-8H,1-4H3
InChIKey
YZGZZWMODWINHA-UHFFFAOYSA-N
Compound name
3-chloro-4-methyl-7-[methyl(propan-2-yloxy)phosphoryl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0424 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04968 169.5
[M+Na]+ 353.03162 180.4
[M-H]- 329.03512 174.8
[M+NH4]+ 348.07622 185.5
[M+K]+ 369.00556 178.7
[M+H-H2O]+ 313.03966 162.0
[M+HCOO]- 375.04060 190.8
[M+CH3COO]- 389.05625 209.4
[M+Na-2H]- 351.01707 172.4
[M]+ 330.04185 180.3
[M]- 330.04295 180.3
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.