CID 69775

735-06-8

Structural Information

Molecular Formula
C14H11FN2O3
SMILES
CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C14H11FN2O3/c1-16-13-7-6-9(17(19)20)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,16H,1H3
InChIKey
GVXPKRIRHDRCGY-UHFFFAOYSA-N
Compound name
(2-fluorophenyl)-[2-(methylamino)-5-nitrophenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.07538 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08266 157.5
[M+Na]+ 297.06460 164.2
[M-H]- 273.06810 163.3
[M+NH4]+ 292.10920 172.3
[M+K]+ 313.03854 156.7
[M+H-H2O]+ 257.07264 153.3
[M+HCOO]- 319.07358 182.2
[M+CH3COO]- 333.08923 196.2
[M+Na-2H]- 295.05005 163.0
[M]+ 274.07483 154.8
[M]- 274.07593 154.8
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