CID 205637

18417-99-7

Structural Information

Molecular Formula
C19H21O4P
SMILES
CP(CCOC(=O)C1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H21O4P/c1-24(14-12-22-18(20)16-8-4-2-5-9-16)15-13-23-19(21)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKey
OQBKBEASQWVHBA-UHFFFAOYSA-N
Compound name
2-[2-benzoyloxyethyl(methyl)phosphanyl]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12502 185.1
[M+Na]+ 367.10696 188.2
[M-H]- 343.11046 189.3
[M+NH4]+ 362.15156 197.8
[M+K]+ 383.08090 185.8
[M+H-H2O]+ 327.11500 173.8
[M+HCOO]- 389.11594 210.9
[M+CH3COO]- 403.13159 211.4
[M+Na-2H]- 365.09241 182.5
[M]+ 344.11719 189.1
[M]- 344.11829 189.1
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

No patent data available for this compound.