CID 5708483

5-fluoro-3-(2-nitrovinyl)indole

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
C1=CC2=C(C=C1F)C(=CN2)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C10H7FN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H/b4-3+
InChIKey
RFGJWSVNMVSDEH-ONEGZZNKSA-N
Compound name
5-fluoro-3-[(E)-2-nitroethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.04915 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.056426 138.7
[M+Na]+ 229.038368 148.4
[M-H]- 205.041874 140.2
[M+NH4]+ 224.082973 158.0
[M+K]+ 245.012308 139.7
[M+H-H2O]+ 189.046410 136.4
[M+HCOO]- 251.047351 162.6
[M+CH3COO]- 265.063001 176.0
[M+Na-2H]- 227.023816 147.0
[M]+ 206.04860142 136.3
[M]- 206.04969858 136.3
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