CID 72231063

4-cyclopropoxy-1-fluoro-2-nitrobenzene

Structural Information

Molecular Formula
C9H8FNO3
SMILES
C1CC1OC2=CC(=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C9H8FNO3/c10-8-4-3-7(14-6-1-2-6)5-9(8)11(12)13/h3-6H,1-2H2
InChIKey
UJOANOMLOMZCOM-UHFFFAOYSA-N
Compound name
4-cyclopropyloxy-1-fluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.04883 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05611 130.8
[M+Na]+ 220.03805 140.6
[M-H]- 196.04155 137.6
[M+NH4]+ 215.08265 144.8
[M+K]+ 236.01199 133.9
[M+H-H2O]+ 180.04609 128.1
[M+HCOO]- 242.04703 156.2
[M+CH3COO]- 256.06268 181.7
[M+Na-2H]- 218.02350 138.8
[M]+ 197.04828 131.8
[M]- 197.04938 131.8
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

No patent data available for this compound.