CID 20777162

2-ethyl-1-fluoro-4-nitrobenzene

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CCC1=C(C=CC(=C1)[N+](=O)[O-])F
InChI
InChI=1S/C8H8FNO2/c1-2-6-5-7(10(11)12)3-4-8(6)9/h3-5H,2H2,1H3
InChIKey
QMNYNWPOUAMKGG-UHFFFAOYSA-N
Compound name
2-ethyl-1-fluoro-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

169.05391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 129.7
[M+Na]+ 192.04313 143.2
[M+NH4]+ 187.08773 138.1
[M+K]+ 208.01707 139.4
[M-H]- 168.04663 132.1
[M+Na-2H]- 190.02858 136.4
[M]+ 169.05336 132.2
[M]- 169.05446 132.2
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