CID 67657

344-80-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

260.05972 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe