CID 6454648

63562-33-4

Structural Information

Molecular Formula
C17H15O6P
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)CC(CC(=O)O)C(=O)O
InChI
InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21)
InChIKey
XZAXQWXHBDKYJI-UHFFFAOYSA-N
Compound name
2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

419
Patents

346.06064 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06792 176.7
[M+Na]+ 369.04986 187.5
[M+NH4]+ 364.09446 183.6
[M+K]+ 385.02380 181.7
[M-H]- 345.05336 177.7
[M+Na-2H]- 367.03531 179.9
[M]+ 346.06009 178.3
[M]- 346.06119 178.3
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