CID 494160

Nsc168510

Structural Information

Molecular Formula
C27H26O2P
SMILES
CC1=CC(=CC(=C1O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C27H25O2P/c1-21-18-23(29-2)19-22(27(21)28)20-30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-19H,20H2,1-2H3/p+1
InChIKey
HFFDIQNSSGSUPL-UHFFFAOYSA-O
Compound name
(2-hydroxy-5-methoxy-3-methylphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16705 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17433 210.9
[M+Na]+ 436.15627 215.2
[M-H]- 412.15977 220.5
[M+NH4]+ 431.20087 219.5
[M+K]+ 452.13021 203.2
[M+H-H2O]+ 396.16431 199.9
[M+HCOO]- 458.16525 234.2
[M+CH3COO]- 472.18090 218.5
[M+Na-2H]- 434.14172 212.3
[M]+ 413.16650 209.4
[M]- 413.16760 209.4
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.