CID 12918153

2-ethoxy-4-fluoronitrobenzene

Structural Information

Molecular Formula
C8H8FNO3
SMILES
CCOC1=C(C=CC(=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C8H8FNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
InChIKey
LEMJFSSYFHTFFP-UHFFFAOYSA-N
Compound name
2-ethoxy-4-fluoro-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

185.04883 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 133.8
[M+Na]+ 208.03805 142.3
[M-H]- 184.04155 136.7
[M+NH4]+ 203.08265 153.2
[M+K]+ 224.01199 137.1
[M+H-H2O]+ 168.04609 131.9
[M+HCOO]- 230.04703 159.1
[M+CH3COO]- 244.06268 176.7
[M+Na-2H]- 206.02350 141.4
[M]+ 185.04828 133.3
[M]- 185.04938 133.3
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