CID 102209257

Dtxsid80872803

Structural Information

Molecular Formula
C19H21O4P
SMILES
CCCCOC(=O)CCP1(=O)C2=CC=CC=C2C3=CC=CC=C3O1
InChI
InChI=1S/C19H21O4P/c1-2-3-13-22-19(20)12-14-24(21)18-11-7-5-9-16(18)15-8-4-6-10-17(15)23-24/h4-11H,2-3,12-14H2,1H3
InChIKey
JBEHRBTVEGZLAF-UHFFFAOYSA-N
Compound name
butyl 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

344.11774 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12502 182.9
[M+Na]+ 367.10696 189.8
[M-H]- 343.11046 187.0
[M+NH4]+ 362.15156 199.1
[M+K]+ 383.08090 187.2
[M+H-H2O]+ 327.11500 172.4
[M+HCOO]- 389.11594 206.2
[M+CH3COO]- 403.13159 212.5
[M+Na-2H]- 365.09241 185.9
[M]+ 344.11719 188.3
[M]- 344.11829 188.3
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