CID 6477232

3-[(e)-2-nitroethenyl]-2-phenyl-1h-indole

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C16H12N2O2/c19-18(20)11-10-14-13-8-4-5-9-15(13)17-16(14)12-6-2-1-3-7-12/h1-11,17H/b11-10+
InChIKey
FXYZNOOUQJHRCH-ZHACJKMWSA-N
Compound name
3-[(E)-2-nitroethenyl]-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.08987 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 158.6
[M+Na]+ 287.079088 166.4
[M-H]- 263.082594 164.1
[M+NH4]+ 282.123693 174.9
[M+K]+ 303.053028 156.1
[M+H-H2O]+ 247.087130 155.2
[M+HCOO]- 309.088071 182.6
[M+CH3COO]- 323.103721 187.5
[M+Na-2H]- 285.064536 166.3
[M]+ 264.08932142 156.7
[M]- 264.09041858 156.7
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