CID 6454648

Dtxsid00886624

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

432
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 177.6
[M+Na]+ 369.04986 183.7
[M-H]- 345.05336 179.4
[M+NH4]+ 364.09446 191.8
[M+K]+ 385.02380 182.1
[M+H-H2O]+ 329.05790 168.4
[M+HCOO]- 391.05884 197.0
[M+CH3COO]- 405.07449 208.2
[M+Na-2H]- 367.03531 179.3
[M]+ 346.06009 179.9
[M]- 346.06119 179.9
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