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]+ 168.04553 129.0
[M+Na]+ 190.02747 142.6
[M+NH4]+ 185.07207 137.2
[M+K]+ 206.00141 138.7
[M-H]- 166.03097 131.2
[M+Na-2H]- 188.01292 135.7
[M]+ 167.03770 131.4
[M]- 167.03880 131.4
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