CID 3015567

(4-amino-3-nitrophenyl)(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C13H9FN2O3
SMILES
C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F
InChI
InChI=1S/C13H9FN2O3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(7-9)16(18)19/h1-7H,15H2
InChIKey
WGHPYSRSLNIWOT-UHFFFAOYSA-N
Compound name
(4-amino-3-nitrophenyl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

260.05972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.066996 153.2
[M+Na]+ 283.048938 160.4
[M-H]- 259.052444 158.7
[M+NH4]+ 278.093543 168.3
[M+K]+ 299.022878 152.8
[M+H-H2O]+ 243.056980 149.3
[M+HCOO]- 305.057921 177.6
[M+CH3COO]- 319.073571 192.5
[M+Na-2H]- 281.034386 158.3
[M]+ 260.05917142 149.3
[M]- 260.06026858 149.3
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