CID 258443

Bis(3-nitrophenyl)methane

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O4/c16-14(17)12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)15(18)19/h1-6,8-9H,7H2
InChIKey
PEZWBZASSSYMTG-UHFFFAOYSA-N
Compound name
1-nitro-3-[(3-nitrophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

258.06406 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 157.6
[M+Na]+ 281.05328 162.8
[M-H]- 257.05678 164.2
[M+NH4]+ 276.09788 171.7
[M+K]+ 297.02722 151.9
[M+H-H2O]+ 241.06132 158.6
[M+HCOO]- 303.06226 183.3
[M+CH3COO]- 317.07791 185.5
[M+Na-2H]- 279.03873 166.0
[M]+ 258.06351 154.4
[M]- 258.06461 154.4
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

patents stripe