CID 118898

6h-dibenz[c,e][1,2]oxaphosphorin, 6-phenoxy-

Structural Information

Molecular Formula
C18H13O2P
SMILES
C1=CC=C(C=C1)OP2C3=CC=CC=C3C4=CC=CC=C4O2
InChI
InChI=1S/C18H13O2P/c1-2-8-14(9-3-1)19-21-18-13-7-5-11-16(18)15-10-4-6-12-17(15)20-21/h1-13H
InChIKey
LPBCBDKFQYOTCU-UHFFFAOYSA-N
Compound name
6-phenoxybenzo[c][2,1]benzoxaphosphinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

292.0653 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07258 166.8
[M+Na]+ 315.05452 174.3
[M-H]- 291.05802 174.3
[M+NH4]+ 310.09912 182.7
[M+K]+ 331.02846 170.6
[M+H-H2O]+ 275.06256 155.4
[M+HCOO]- 337.06350 191.9
[M+CH3COO]- 351.07915 178.5
[M+Na-2H]- 313.03997 172.0
[M]+ 292.06475 167.7
[M]- 292.06585 167.7
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