CID 471186

Difluorophosphonoacetic acid

Structural Information

Molecular Formula

C₂H₃F₂O₅P

SMILES

C(=O)(C(F)(F)P(=O)(O)O)O

InChI

InChI=1S/C2H3F2O5P/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H2,7,8,9)

InChIKey

PEPKPVUYBKUJGW-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-phosphonoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 175.96861 Da
Monoisotopic Mass: -1.3
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]+	176.97589	130.0
[M+Na]+	198.95783	138.0
[M-H]-	174.96133	123.1
[M+NH4]+	194.00243	148.3
[M+K]+	214.93177	137.5
[M+H-H2O]+	158.96587	123.2
[M+HCOO]-	220.96681	150.9
[M+CH3COO]-	234.98246	169.6
[M+Na-2H]-	196.94328	133.8
[M]+	175.96806	127.2
[M]-	175.96916	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe