CID 75051

2136-75-6

Structural Information

Molecular Formula
C20H17OP
SMILES
C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H17OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey
CQCAYWAIRTVXIY-UHFFFAOYSA-N
Compound name
2-(triphenyl-lambda5-phosphanylidene)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1731
Patents

304.1017 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10898 174.6
[M+Na]+ 327.09092 180.2
[M-H]- 303.09442 182.3
[M+NH4]+ 322.13552 188.8
[M+K]+ 343.06486 173.9
[M+H-H2O]+ 287.09896 163.2
[M+HCOO]- 349.09990 201.9
[M+CH3COO]- 363.11555 203.2
[M+Na-2H]- 325.07637 177.8
[M]+ 304.10115 173.1
[M]- 304.10225 173.1
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