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]+ 198.056106 130.8
[M+Na]+ 220.038048 140.6
[M-H]- 196.041554 137.6
[M+NH4]+ 215.082653 144.8
[M+K]+ 236.011988 133.9
[M+H-H2O]+ 180.046090 128.1
[M+HCOO]- 242.047031 156.2
[M+CH3COO]- 256.062681 181.7
[M+Na-2H]- 218.023496 138.8
[M]+ 197.04828142 131.8
[M]- 197.04937858 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.