CID 73895

1-fluoro-2-nitrobenzene

Structural Information

Molecular Formula
C6H4FNO2
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])F
InChI
InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChIKey
PWKNBLFSJAVFAB-UHFFFAOYSA-N
Compound name
1-fluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

12681
Patents

141.02261 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.02989 121.2
[M+Na]+ 164.01183 129.9
[M-H]- 140.01533 124.2
[M+NH4]+ 159.05643 142.2
[M+K]+ 179.98577 124.6
[M+H-H2O]+ 124.01987 119.9
[M+HCOO]- 186.02081 147.0
[M+CH3COO]- 200.03646 167.4
[M+Na-2H]- 161.99728 130.5
[M]+ 141.02206 118.4
[M]- 141.02316 118.4
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