CID 608425

1-fluoro-4,5-dimethoxy-2-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe