CID 2758414

2,4-dimethoxy-5-fluoronitrobenzene

Structural Information

Molecular Formula
C8H8FNO4
SMILES
COC1=CC(=C(C=C1[N+](=O)[O-])F)OC
InChI
InChI=1S/C8H8FNO4/c1-13-7-4-8(14-2)6(10(11)12)3-5(7)9/h3-4H,1-2H3
InChIKey
KADJLLXINJRFKF-UHFFFAOYSA-N
Compound name
1-fluoro-2,4-dimethoxy-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

201.04373 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05101 136.1
[M+Na]+ 224.03295 145.5
[M-H]- 200.03645 139.5
[M+NH4]+ 219.07755 155.1
[M+K]+ 240.00689 140.7
[M+H-H2O]+ 184.04099 134.3
[M+HCOO]- 246.04193 161.6
[M+CH3COO]- 260.05758 179.8
[M+Na-2H]- 222.01840 143.3
[M]+ 201.04318 137.5
[M]- 201.04428 137.5
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