CID 17453

2605-67-6

Structural Information

Molecular Formula
C21H19O2P
SMILES
COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKey
NTNUDYROPUKXNA-UHFFFAOYSA-N
Compound name
methyl 2-(triphenyl-lambda5-phosphanylidene)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5609
Patents

334.11227 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11955 182.5
[M+Na]+ 357.10149 187.1
[M-H]- 333.10499 190.1
[M+NH4]+ 352.14609 195.4
[M+K]+ 373.07543 182.0
[M+H-H2O]+ 317.10953 170.7
[M+HCOO]- 379.11047 208.6
[M+CH3COO]- 393.12612 208.2
[M+Na-2H]- 355.08694 184.1
[M]+ 334.11172 182.0
[M]- 334.11282 182.0
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