CID 11760420

Methyl 2-diphenylphosphino-1-naphthoate

Structural Information

Molecular Formula
C24H19O2P
SMILES
COC(=O)C1=C(C=CC2=CC=CC=C21)P(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19O2P/c1-26-24(25)23-21-15-9-8-10-18(21)16-17-22(23)27(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-17H,1H3
InChIKey
QNDSZNKYBYBYAE-UHFFFAOYSA-N
Compound name
methyl 2-diphenylphosphanylnaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

370.11227 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11955 191.6
[M+Na]+ 393.10149 196.6
[M-H]- 369.10499 200.0
[M+NH4]+ 388.14609 203.8
[M+K]+ 409.07543 191.1
[M+H-H2O]+ 353.10953 178.7
[M+HCOO]- 415.11047 216.4
[M+CH3COO]- 429.12612 219.0
[M+Na-2H]- 391.08694 190.8
[M]+ 370.11172 191.7
[M]- 370.11282 191.7
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

patents stripe