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

17
Patents

232.0648 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07208 145.8
[M+Na]+ 255.05402 152.7
[M-H]- 231.05752 151.5
[M+NH4]+ 250.09862 162.3
[M+K]+ 271.02796 145.1
[M+H-H2O]+ 215.06206 142.0
[M+HCOO]- 277.06300 171.9
[M+CH3COO]- 291.07865 187.2
[M+Na-2H]- 253.03947 154.2
[M]+ 232.06425 142.1
[M]- 232.06535 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