CID 146446788

2375201-04-8

Structural Information

Molecular Formula
C16H13N2O11P
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC(=C2)P(=O)(O)O)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C16H13N2O11P/c19-11-1-2-12(20)17(11)28-15(23)8-5-9(7-10(6-8)30(25,26)27)16(24)29-18-13(21)3-4-14(18)22/h5-7H,1-4H2,(H2,25,26,27)
InChIKey
BSIHZHMYNBOZKA-UHFFFAOYSA-N
Compound name
[3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyl]phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

440.0257 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.03298 180.7
[M+Na]+ 463.01492 185.1
[M-H]- 439.01842 185.2
[M+NH4]+ 458.05952 188.7
[M+K]+ 478.98886 186.2
[M+H-H2O]+ 423.02296 172.2
[M+HCOO]- 485.02390 200.2
[M+CH3COO]- 499.03955 220.9
[M+Na-2H]- 461.00037 176.0
[M]+ 440.02515 183.0
[M]- 440.02625 183.0
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