CID 197755

Brn 2278548

Structural Information

Molecular Formula
C10H11O4P
SMILES
C1C2(COP(=O)(O1)OC2)C3=CC=CC=C3
InChI
InChI=1S/C10H11O4P/c11-15-12-6-10(7-13-15,8-14-15)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
DQRAJWGHRCELIJ-UHFFFAOYSA-N
Compound name
4-phenyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

226.03949 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04677 143.7
[M+Na]+ 249.02871 149.9
[M-H]- 225.03221 145.0
[M+NH4]+ 244.07331 166.0
[M+K]+ 265.00265 151.9
[M+H-H2O]+ 209.03675 134.5
[M+HCOO]- 271.03769 159.9
[M+CH3COO]- 285.05334 155.4
[M+Na-2H]- 247.01416 157.0
[M]+ 226.03894 148.6
[M]- 226.04004 148.6
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

patents stripe