CID 52651

2-(2,4-dinitrophenoxymethyl)tetrahydrofuran

Structural Information

Molecular Formula
C11H12N2O6
SMILES
C1CC(OC1)COC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O6/c14-12(15)8-3-4-11(10(6-8)13(16)17)19-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2
InChIKey
XVHCPCFQNPULMB-UHFFFAOYSA-N
Compound name
2-[(2,4-dinitrophenoxy)methyl]oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.06955 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07683 160.7
[M+Na]+ 291.05877 164.4
[M-H]- 267.06227 167.5
[M+NH4]+ 286.10337 174.6
[M+K]+ 307.03271 156.1
[M+H-H2O]+ 251.06681 162.5
[M+HCOO]- 313.06775 184.4
[M+CH3COO]- 327.08340 184.5
[M+Na-2H]- 289.04422 168.2
[M]+ 268.06900 157.8
[M]- 268.07010 157.8
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