CID 96413

4-fluoro-4'-nitro-1,1'-biphenyl

Structural Information

Molecular Formula
C12H8FNO2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C12H8FNO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H
InChIKey
GMPGAPATPBXNSX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

217.05391 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.061186 142.9
[M+Na]+ 240.043128 150.8
[M-H]- 216.046634 148.8
[M+NH4]+ 235.087733 160.5
[M+K]+ 256.017068 143.3
[M+H-H2O]+ 200.051170 139.6
[M+HCOO]- 262.052111 168.0
[M+CH3COO]- 276.067761 182.5
[M+Na-2H]- 238.028576 150.7
[M]+ 217.05336142 140.0
[M]- 217.05445858 140.0
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