CID 11367232

2-fluoro-1,3-dimethyl-5-nitrobenzene

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CC1=CC(=CC(=C1F)C)[N+](=O)[O-]
InChI
InChI=1S/C8H8FNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
InChIKey
VJEBIHTVWPSCEM-UHFFFAOYSA-N
Compound name
2-fluoro-1,3-dimethyl-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
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 143.7
[M+NH4]+ 187.08773 138.2
[M+K]+ 208.01707 140.0
[M-H]- 168.04663 132.3
[M+Na-2H]- 190.02858 136.3
[M]+ 169.05336 132.3
[M]- 169.05446 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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