CID 374924

Nsc653509

Structural Information

Molecular Formula
C11H7F6O5P
SMILES
COP1(=O)OC2=CC=CC=C2C(=O)C(O1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H7F6O5P/c1-20-23(19)21-7-5-3-2-4-6(7)8(18)9(22-23,10(12,13)14)11(15,16)17/h2-5H,1H3
InChIKey
RARJHOZZASATBD-UHFFFAOYSA-N
Compound name
2-methoxy-2-oxo-4,4-bis(trifluoromethyl)-1,3,2lambda5-benzodioxaphosphepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.99353 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00081 158.0
[M+Na]+ 386.98275 167.9
[M-H]- 362.98625 157.6
[M+NH4]+ 382.02735 172.7
[M+K]+ 402.95669 171.8
[M+H-H2O]+ 346.99079 148.0
[M+HCOO]- 408.99173 173.7
[M+CH3COO]- 423.00738 210.5
[M+Na-2H]- 384.96820 164.9
[M]+ 363.99298 153.5
[M]- 363.99408 153.5
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.