CID 51173

Flurofamide

Structural Information

Molecular Formula

C₇H₉FN₃O₂P

SMILES

C1=CC(=CC=C1C(=O)NP(=O)(N)N)F

InChI

InChI=1S/C7H9FN3O2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H5,9,10,11,12,13)

InChIKey

QWZFVMCWPLMLTL-UHFFFAOYSA-N

Compound name

N-diaminophosphoryl-4-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 31
References: 322
Patents: 217.04164 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.048916	144.1
[M+Na]+	240.030858	150.7
[M-H]-	216.034364	144.6
[M+NH4]+	235.075463	161.5
[M+K]+	256.004798	148.8
[M+H-H2O]+	200.038900	134.7
[M+HCOO]-	262.039841	173.2
[M+CH3COO]-	276.055491	192.8
[M+Na-2H]-	238.016306	146.4
[M]+	217.04109142	139.6
[M]-	217.04218858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe