CID 91665612

1345681-74-4

Structural Information

Molecular Formula
C15H14N2O8
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C15H14N2O8/c18-13-5-6-14(19)16(13)7-8-23-9-10-24-15(20)25-12-3-1-11(2-4-12)17(21)22/h1-6H,7-10H2
InChIKey
FCTHMHZJVBYEGY-UHFFFAOYSA-N
Compound name
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (4-nitrophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

350.075 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08228 175.4
[M+Na]+ 373.06422 180.8
[M-H]- 349.06772 181.0
[M+NH4]+ 368.10882 187.3
[M+K]+ 389.03816 175.7
[M+H-H2O]+ 333.07226 171.4
[M+HCOO]- 395.07320 199.0
[M+CH3COO]- 409.08885 202.0
[M+Na-2H]- 371.04967 179.1
[M]+ 350.07445 179.6
[M]- 350.07555 179.6
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