CID 3517656

N-(4-fluorophenyl)-2-nitroaniline

Structural Information

Molecular Formula
C12H9FN2O2
SMILES
C1=CC=C(C(=C1)NC2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C12H9FN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H
InChIKey
UFHNNTOZYJSSPQ-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

232.0648 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.072076 145.8
[M+Na]+ 255.054018 152.7
[M-H]- 231.057524 151.5
[M+NH4]+ 250.098623 162.3
[M+K]+ 271.027958 145.1
[M+H-H2O]+ 215.062060 142.0
[M+HCOO]- 277.063001 171.9
[M+CH3COO]- 291.078651 187.2
[M+Na-2H]- 253.039466 154.2
[M]+ 232.06425142 142.1
[M]- 232.06534858 142.1
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

patents stripe