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

177
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 199.7
[M+Na]+ 457.10229 208.6
[M+NH4]+ 452.14689 204.7
[M+K]+ 473.07623 203.0
[M-H]- 433.10579 199.5
[M+Na-2H]- 455.08774 201.1
[M]+ 434.11252 200.6
[M]- 434.11362 200.6
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