CID 511387

Phosphono dichloroacetic acid

Structural Information

Molecular Formula
C2H3Cl2O5P
SMILES
C(=O)(C(P(=O)(O)O)(Cl)Cl)O
InChI
InChI=1S/C2H3Cl2O5P/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H2,7,8,9)
InChIKey
NSXDBPDKDNSGOF-UHFFFAOYSA-N
Compound name
2,2-dichloro-2-phosphonoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.90952 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.91680 130.5
[M+Na]+ 230.89874 139.9
[M-H]- 206.90224 126.7
[M+NH4]+ 225.94334 149.3
[M+K]+ 246.87268 136.4
[M+H-H2O]+ 190.90678 128.0
[M+HCOO]- 252.90772 144.6
[M+CH3COO]- 266.92337 173.0
[M+Na-2H]- 228.88419 135.3
[M]+ 207.90897 133.2
[M]- 207.91007 133.2
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

No patent data available for this compound.