CID 1270793

100596-39-2

Structural Information

Molecular Formula
C18H15NO9
SMILES
COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C18H15NO9/c1-25-16(20)10-4-5-15(14(9-10)19(23)24)28-13-7-11(17(21)26-2)6-12(8-13)18(22)27-3/h4-9H,1-3H3
InChIKey
NZUIFJUDFWPJPN-UHFFFAOYSA-N
Compound name
dimethyl 5-(4-methoxycarbonyl-2-nitrophenoxy)benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.07468 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.08196 183.4
[M+Na]+ 412.06390 188.8
[M-H]- 388.06740 190.5
[M+NH4]+ 407.10850 193.3
[M+K]+ 428.03784 185.2
[M+H-H2O]+ 372.07194 179.0
[M+HCOO]- 434.07288 206.1
[M+CH3COO]- 448.08853 212.6
[M+Na-2H]- 410.04935 185.5
[M]+ 389.07413 189.5
[M]- 389.07523 189.5
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.