CID 386497

Nsc678867

Structural Information

Molecular Formula
C32H25O3PS
SMILES
COC1=CC=C(C=C1)P2(=S)OC3=C(O2)C=C(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C32H25O3PS/c1-33-28-18-20-29(21-19-28)36(37)34-30-22-17-27(23-31(30)35-36)32(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-23H,1H3
InChIKey
JBBVBCBSABZVAH-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-sulfanylidene-5-trityl-1,3,2lambda5-benzodioxaphosphole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1262 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.13348 226.9
[M+Na]+ 543.11542 233.6
[M-H]- 519.11892 242.6
[M+NH4]+ 538.16002 234.3
[M+K]+ 559.08936 229.6
[M+H-H2O]+ 503.12346 213.5
[M+HCOO]- 565.12440 245.6
[M+CH3COO]- 579.14005 234.8
[M+Na-2H]- 541.10087 225.4
[M]+ 520.12565 229.0
[M]- 520.12675 229.0
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

No patent data available for this compound.