CID 6042709

Beta-(9-anthracenyl)-2,4-dinitrostyrene

Structural Information

Molecular Formula
C22H14N2O4
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C22H14N2O4/c25-23(26)18-11-9-15(22(14-18)24(27)28)10-12-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H/b12-10+
InChIKey
CIUMHIUJGQRDOU-ZRDIBKRKSA-N
Compound name
9-[(E)-2-(2,4-dinitrophenyl)ethenyl]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09537 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10265 187.4
[M+Na]+ 393.08459 192.5
[M-H]- 369.08809 195.2
[M+NH4]+ 388.12919 198.3
[M+K]+ 409.05853 178.5
[M+H-H2O]+ 353.09263 185.7
[M+HCOO]- 415.09357 210.0
[M+CH3COO]- 429.10922 208.3
[M+Na-2H]- 391.07004 196.7
[M]+ 370.09482 185.6
[M]- 370.09592 185.6
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.