CID 1695249

2900-72-3

Structural Information

Molecular Formula
C15H9ClN2O2
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H9ClN2O2/c16-14-5-1-11(2-6-14)9-13(10-17)12-3-7-15(8-4-12)18(19)20/h1-9H/b13-9+
InChIKey
RGRMXCOYMYLJMX-UKTHLTGXSA-N
Compound name
(Z)-3-(4-chlorophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

284.03525 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04253 173.3
[M+Na]+ 307.02447 182.8
[M-H]- 283.02797 178.1
[M+NH4]+ 302.06907 186.9
[M+K]+ 322.99841 171.7
[M+H-H2O]+ 267.03251 164.2
[M+HCOO]- 329.03345 189.3
[M+CH3COO]- 343.04910 203.8
[M+Na-2H]- 305.00992 176.6
[M]+ 284.03470 167.8
[M]- 284.03580 167.8
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