CID 254003

Refchem:134696

Structural Information

Molecular Formula
C12H11OP
SMILES
C1=CC=C(C=C1)P(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKey
ASUOLLHGALPRFK-UHFFFAOYSA-N
Compound name
phenylphosphonoylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

0
Patents

202.05475 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06203 143.9
[M+Na]+ 225.04397 150.7
[M-H]- 201.04747 149.3
[M+NH4]+ 220.08857 162.9
[M+K]+ 241.01791 147.6
[M+H-H2O]+ 185.05201 134.5
[M+HCOO]- 247.05295 173.3
[M+CH3COO]- 261.06860 185.1
[M+Na-2H]- 223.02942 147.3
[M]+ 202.05420 143.5
[M]- 202.05530 143.5
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.