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]+ 265.09715 158.6
[M+Na]+ 287.07909 166.4
[M-H]- 263.08259 164.1
[M+NH4]+ 282.12369 174.9
[M+K]+ 303.05303 156.1
[M+H-H2O]+ 247.08713 155.2
[M+HCOO]- 309.08807 182.6
[M+CH3COO]- 323.10372 187.5
[M+Na-2H]- 285.06454 166.3
[M]+ 264.08932 156.7
[M]- 264.09042 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