CID 383752

Nsc672194

Structural Information

Molecular Formula
C27H26O2P
SMILES
COC1=CC(=C(C=C1)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H26O2P/c1-28-23-18-19-27(29-2)22(20-23)21-30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-20H,21H2,1-2H3/q+1
InChIKey
QJYONTQJLDCEAG-UHFFFAOYSA-N
Compound name
(2,5-dimethoxyphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 211.5
[M+Na]+ 436.15627 215.3
[M-H]- 412.15977 221.9
[M+NH4]+ 431.20087 220.4
[M+K]+ 452.13021 203.9
[M+H-H2O]+ 396.16431 199.8
[M+HCOO]- 458.16525 236.2
[M+CH3COO]- 472.18090 219.9
[M+Na-2H]- 434.14172 213.7
[M]+ 413.16650 211.2
[M]- 413.16760 211.2
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