CID 66730329

2,6-difluorobenzylphosphonic acid

Structural Information

Molecular Formula

C₇H₇F₂O₃P

SMILES

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

InChI

InChI=1S/C7H7F2O3P/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)

InChIKey

BNNGITGCJOYNHF-UHFFFAOYSA-N

Compound name

(2,6-difluorophenyl)methylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 208.01009 Da
Monoisotopic Mass: 0.0
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]+	209.01737	140.4
[M+Na]+	230.99931	149.7
[M-H]-	207.00281	138.3
[M+NH4]+	226.04391	158.8
[M+K]+	246.97325	146.9
[M+H-H2O]+	191.00735	131.8
[M+HCOO]-	253.00829	164.7
[M+CH3COO]-	267.02394	180.4
[M+Na-2H]-	228.98476	142.9
[M]+	208.00954	138.7
[M]-	208.01064	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe