CID 622004

3-(2-nitroethenyl)-1-phenylindole

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C[N+](=O)[O-]
InChI
InChI=1S/C16H12N2O2/c19-18(20)11-10-13-12-17(14-6-2-1-3-7-14)16-9-5-4-8-15(13)16/h1-12H
InChIKey
JHTQRJSIADSEBT-UHFFFAOYSA-N
Compound name
3-(2-nitroethenyl)-1-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

264.08987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 159.2
[M+Na]+ 287.07909 167.5
[M-H]- 263.08259 166.1
[M+NH4]+ 282.12369 176.2
[M+K]+ 303.05303 158.1
[M+H-H2O]+ 247.08713 155.5
[M+HCOO]- 309.08807 184.7
[M+CH3COO]- 323.10372 190.2
[M+Na-2H]- 285.06454 167.2
[M]+ 264.08932 159.1
[M]- 264.09042 159.1
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