CID 512083

Phosphinecarboxylic acid, (2,6-dimethylphenoxy)hydroxy-, oxide

Structural Information

Molecular Formula
C9H11O5P
SMILES
CC1=C(C(=CC=C1)C)OP(=O)(C(=O)O)O
InChI
InChI=1S/C9H11O5P/c1-6-4-3-5-7(2)8(6)14-15(12,13)9(10)11/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKey
UDMAMOSHMFXDDK-UHFFFAOYSA-N
Compound name
[(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

230.03441 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04169 147.4
[M+Na]+ 253.02363 155.5
[M-H]- 229.02713 147.9
[M+NH4]+ 248.06823 164.8
[M+K]+ 268.99757 154.4
[M+H-H2O]+ 213.03167 140.2
[M+HCOO]- 275.03261 172.9
[M+CH3COO]- 289.04826 185.3
[M+Na-2H]- 251.00908 149.4
[M]+ 230.03386 150.4
[M]- 230.03496 150.4
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

patents stripe