CID 112694

63562-34-5

Structural Information

Molecular Formula
C21H23O8P
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)CC(CC(=O)OCCO)C(=O)OCCO
InChI
InChI=1S/C21H23O8P/c22-9-11-27-20(24)13-15(21(25)28-12-10-23)14-30(26)19-8-4-2-6-17(19)16-5-1-3-7-18(16)29-30/h1-8,15,22-23H,9-14H2
InChIKey
MJOBQUIJUFKMPR-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl) 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

182
Patents

434.11307 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12035 200.7
[M+Na]+ 457.10229 204.4
[M-H]- 433.10579 201.6
[M+NH4]+ 452.14689 211.1
[M+K]+ 473.07623 203.9
[M+H-H2O]+ 417.11033 190.3
[M+HCOO]- 479.11127 219.0
[M+CH3COO]- 493.12692 223.2
[M+Na-2H]- 455.08774 201.1
[M]+ 434.11252 207.0
[M]- 434.11362 207.0
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