CID 565656

4-fluoro-2-nitroanisole

Structural Information

Molecular Formula
C7H6FNO3
SMILES
COC1=C(C=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
InChIKey
FWLPYISRFBKEKV-UHFFFAOYSA-N
Compound name
4-fluoro-1-methoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

171.03317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.040446 128.8
[M+Na]+ 194.022388 137.8
[M-H]- 170.025894 132.0
[M+NH4]+ 189.066993 148.8
[M+K]+ 209.996328 132.8
[M+H-H2O]+ 154.030430 127.2
[M+HCOO]- 216.031371 154.4
[M+CH3COO]- 230.047021 173.6
[M+Na-2H]- 192.007836 137.0
[M]+ 171.03262142 128.0
[M]- 171.03371858 128.0
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