CID 350044

Bis(4-methoxy-3-nitrophenyl)methanone

Structural Information

Molecular Formula
C15H12N2O7
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O7/c1-23-13-5-3-9(7-11(13)16(19)20)15(18)10-4-6-14(24-2)12(8-10)17(21)22/h3-8H,1-2H3
InChIKey
BDOHQEPUDCPQMJ-UHFFFAOYSA-N
Compound name
bis(4-methoxy-3-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

332.06445 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07173 173.8
[M+Na]+ 355.05367 179.0
[M-H]- 331.05717 180.7
[M+NH4]+ 350.09827 184.9
[M+K]+ 371.02761 169.4
[M+H-H2O]+ 315.06171 174.1
[M+HCOO]- 377.06265 198.2
[M+CH3COO]- 391.07830 199.2
[M+Na-2H]- 353.03912 179.9
[M]+ 332.06390 174.3
[M]- 332.06500 174.3
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