CID 256127

Tert-butyl (triphenylphosphoranylidene) acetate

Structural Information

Molecular Formula
C24H25O2P
SMILES
CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3
InChIKey
ZWZUFQPXYVYAFO-UHFFFAOYSA-N
Compound name
tert-butyl 2-(triphenyl-lambda5-phosphanylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1381
Patents

376.1592 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16648 196.2
[M+Na]+ 399.14842 200.0
[M-H]- 375.15192 203.6
[M+NH4]+ 394.19302 207.5
[M+K]+ 415.12236 194.8
[M+H-H2O]+ 359.15646 184.4
[M+HCOO]- 421.15740 219.7
[M+CH3COO]- 435.17305 216.8
[M+Na-2H]- 397.13387 197.3
[M]+ 376.15865 196.1
[M]- 376.15975 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe