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
3
Annotation Hits

0
References

14157
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 144.0
[M+Na]+ 238.01540 155.1
[M-H]- 214.01890 150.3
[M+NH4]+ 233.06000 163.8
[M+K]+ 253.98934 147.0
[M+H-H2O]+ 198.02344 137.8
[M+HCOO]- 260.02438 172.8
[M+CH3COO]- 274.04003 181.3
[M+Na-2H]- 236.00085 154.9
[M]+ 215.02563 147.1
[M]- 215.02673 147.1
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