CID 498099

Propylidenetriphenylphosphorane

Structural Information

Molecular Formula
C21H21P
SMILES
CCC=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H21P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKey
DDMOZUBZYFKJDS-UHFFFAOYSA-N
Compound name
triphenyl(propylidene)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

304.1381 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14538 177.1
[M+Na]+ 327.12732 182.0
[M-H]- 303.13082 184.4
[M+NH4]+ 322.17192 191.4
[M+K]+ 343.10126 175.5
[M+H-H2O]+ 287.13536 165.6
[M+HCOO]- 349.13630 203.6
[M+CH3COO]- 363.15195 205.0
[M+Na-2H]- 325.11277 179.5
[M]+ 304.13755 175.2
[M]- 304.13865 175.2
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