CID 430481

2-(triphenylphosphoranyl)-1,4-benzenediol

Structural Information

Molecular Formula
C24H20O2P
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C=CC(=C4)O)O
InChI
InChI=1S/C24H19O2P/c25-19-16-17-23(26)24(18-19)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,(H-,25,26)/p+1
InChIKey
YCXVHURLDBUOMW-UHFFFAOYSA-O
Compound name
(2,5-dihydroxyphenyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

371.1201 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.12738 196.5
[M+Na]+ 394.10932 200.8
[M-H]- 370.11282 205.0
[M+NH4]+ 389.15392 205.8
[M+K]+ 410.08326 188.5
[M+H-H2O]+ 354.11736 186.5
[M+HCOO]- 416.11830 219.4
[M+CH3COO]- 430.13395 206.3
[M+Na-2H]- 392.09477 199.9
[M]+ 371.11955 192.0
[M]- 371.12065 192.0
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