CID 27472

Butyl 2,4-dinitrophenyl carbonate

Structural Information

Molecular Formula
C11H12N2O7
SMILES
CCCCOC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3
InChIKey
UKVCWXQPMRARHZ-UHFFFAOYSA-N
Compound name
butyl (2,4-dinitrophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06445 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07173 162.5
[M+Na]+ 307.05367 167.5
[M-H]- 283.05717 166.0
[M+NH4]+ 302.09827 176.5
[M+K]+ 323.02761 159.0
[M+H-H2O]+ 267.06171 164.3
[M+HCOO]- 329.06265 190.1
[M+CH3COO]- 343.07830 187.8
[M+Na-2H]- 305.03912 169.3
[M]+ 284.06390 163.4
[M]- 284.06500 163.4
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

No patent data available for this compound.