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

213
Patents

169.05391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 129.5
[M+Na]+ 192.043128 139.2
[M-H]- 168.046634 133.0
[M+NH4]+ 187.087733 150.0
[M+K]+ 208.017068 133.5
[M+H-H2O]+ 152.051170 128.3
[M+HCOO]- 214.052111 154.7
[M+CH3COO]- 228.067761 175.7
[M+Na-2H]- 190.028576 136.5
[M]+ 169.05336142 128.2
[M]- 169.05445858 128.2
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

patents stripe