CID 102034187

1-ethenyl-3-fluoro-2-nitrobenzene

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C=CC1=C(C(=CC=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO2/c1-2-6-4-3-5-7(9)8(6)10(11)12/h2-5H,1H2
InChIKey
FOMXJCJMMCTMMU-UHFFFAOYSA-N
Compound name
1-ethenyl-3-fluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

167.03825 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.045526 129.1
[M+Na]+ 190.027468 138.1
[M-H]- 166.030974 132.2
[M+NH4]+ 185.072073 149.2
[M+K]+ 206.001408 131.8
[M+H-H2O]+ 150.035510 127.7
[M+HCOO]- 212.036451 154.4
[M+CH3COO]- 226.052101 173.6
[M+Na-2H]- 188.012916 136.7
[M]+ 167.03770142 126.6
[M]- 167.03879858 126.6
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