CID 6328250

35948-25-5

Structural Information

Molecular Formula
C12H8O2P
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3[P+](=O)O2
InChI
InChI=1S/C12H8O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H/q+1
InChIKey
DWSWCPPGLRSPIT-UHFFFAOYSA-N
Compound name
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11290
Patents

215.02618 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03346 137.8
[M+Na]+ 238.01540 157.6
[M+NH4]+ 233.06000 149.5
[M+K]+ 253.98934 149.8
[M-H]- 214.01890 145.4
[M+Na-2H]- 236.00085 148.1
[M]+ 215.02563 143.5
[M]- 215.02673 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

literature stripe

Patent stripe

patents stripe