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]+ 265.097146 159.2
[M+Na]+ 287.079088 167.5
[M-H]- 263.082594 166.1
[M+NH4]+ 282.123693 176.2
[M+K]+ 303.053028 158.1
[M+H-H2O]+ 247.087130 155.5
[M+HCOO]- 309.088071 184.7
[M+CH3COO]- 323.103721 190.2
[M+Na-2H]- 285.064536 167.2
[M]+ 264.08932142 159.1
[M]- 264.09041858 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