CID 11695905

194988-29-9

Structural Information

Molecular Formula
C14H17ClNO5P
SMILES
CCOP(=O)(N(C)C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C
InChI
InChI=1S/C14H17ClNO5P/c1-5-19-22(18,16(3)4)21-10-6-7-11-9(2)13(15)14(17)20-12(11)8-10/h6-8H,5H2,1-4H3
InChIKey
LFDODTSSBGRUEA-UHFFFAOYSA-N
Compound name
3-chloro-7-[dimethylamino(ethoxy)phosphoryl]oxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.05328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.06056 174.2
[M+Na]+ 368.04250 184.5
[M-H]- 344.04600 180.6
[M+NH4]+ 363.08710 189.8
[M+K]+ 384.01644 183.7
[M+H-H2O]+ 328.05054 165.9
[M+HCOO]- 390.05148 197.9
[M+CH3COO]- 404.06713 216.9
[M+Na-2H]- 366.02795 177.9
[M]+ 345.05273 186.0
[M]- 345.05383 186.0
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.