CID 53255569

1-fluoro-3-isopropoxy-2-nitrobenzene

Structural Information

Molecular Formula
C9H10FNO3
SMILES
CC(C)OC1=C(C(=CC=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C9H10FNO3/c1-6(2)14-8-5-3-4-7(10)9(8)11(12)13/h3-6H,1-2H3
InChIKey
SQFMAXPRBZQIIL-UHFFFAOYSA-N
Compound name
1-fluoro-2-nitro-3-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.06447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07175 137.3
[M+Na]+ 222.05369 149.8
[M+NH4]+ 217.09829 144.8
[M+K]+ 238.02763 147.1
[M-H]- 198.05719 139.0
[M+Na-2H]- 220.03914 143.0
[M]+ 199.06392 139.3
[M]- 199.06502 139.3
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