CID 5377860

Trans-4,4'-dinitrostilbene

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+
InChIKey
CLVIIRIMEIEKOQ-OWOJBTEDSA-N
Compound name
1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

270.06406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 161.8
[M+Na]+ 293.05328 167.0
[M-H]- 269.05678 168.3
[M+NH4]+ 288.09788 175.5
[M+K]+ 309.02722 155.3
[M+H-H2O]+ 253.06132 162.7
[M+HCOO]- 315.06226 187.4
[M+CH3COO]- 329.07791 186.7
[M+Na-2H]- 291.03873 169.7
[M]+ 270.06351 158.2
[M]- 270.06461 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe