CID 67052680

1197956-35-6

Structural Information

Molecular Formula

C₈H₁₁FNOP

SMILES

CP(=O)(C)C1=CC(=C(C=C1)N)F

InChI

InChI=1S/C8H11FNOP/c1-12(2,11)6-3-4-8(10)7(9)5-6/h3-5H,10H2,1-2H3

InChIKey

LRMFKTMOONLXRC-UHFFFAOYSA-N

Compound name

4-dimethylphosphoryl-2-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 187.05623 Da
Monoisotopic Mass: 0.5
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]+	188.06351	139.5
[M+Na]+	210.04545	148.6
[M-H]-	186.04895	141.0
[M+NH4]+	205.09005	159.9
[M+K]+	226.01939	146.3
[M+H-H2O]+	170.05349	131.3
[M+HCOO]-	232.05443	167.6
[M+CH3COO]-	246.07008	185.9
[M+Na-2H]-	208.03090	142.1
[M]+	187.05568	138.6
[M]-	187.05678	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe