CID 451460

[hydroxy-(4-methylphenoxy)phosphoryl]formic acid

Structural Information

Molecular Formula
C8H9O5P
SMILES
CC1=CC=C(C=C1)OP(=O)(C(=O)O)O
InChI
InChI=1S/C8H9O5P/c1-6-2-4-7(5-3-6)13-14(11,12)8(9)10/h2-5H,1H3,(H,9,10)(H,11,12)
InChIKey
WBBFNGNAIXHYMA-UHFFFAOYSA-N
Compound name
[hydroxy-(4-methylphenoxy)phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

216.01875 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02603 143.6
[M+Na]+ 239.00797 151.2
[M-H]- 215.01147 143.9
[M+NH4]+ 234.05257 161.2
[M+K]+ 254.98191 150.2
[M+H-H2O]+ 199.01601 136.2
[M+HCOO]- 261.01695 169.4
[M+CH3COO]- 275.03260 181.0
[M+Na-2H]- 236.99342 146.7
[M]+ 216.01820 145.8
[M]- 216.01930 145.8
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