CID 5368353

2,4-dinitrostilbene

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O4/c17-15(18)13-9-8-12(14(10-13)16(19)20)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
InChIKey
YHUVJTKXOKHAQP-VOTSOKGWSA-N
Compound name
2,4-dinitro-1-[(E)-2-phenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

270.06406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 162.2
[M+Na]+ 293.05328 177.5
[M+NH4]+ 288.09788 169.8
[M+K]+ 309.02722 174.7
[M-H]- 269.05678 168.8
[M+Na-2H]- 291.03873 170.2
[M]+ 270.06351 166.0
[M]- 270.06461 166.0
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

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