CID 512101

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

Structural Information

Molecular Formula
C10H13O5P
SMILES
CC1=C(C(=CC=C1)C)OP(=O)(C(=O)OC)O
InChI
InChI=1S/C10H13O5P/c1-7-5-4-6-8(2)9(7)15-16(12,13)10(11)14-3/h4-6H,1-3H3,(H,12,13)
InChIKey
JBZMNTIVMHFYSU-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenoxy)-methoxycarbonylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

244.05006 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05734 151.2
[M+Na]+ 267.03928 159.4
[M-H]- 243.04278 153.0
[M+NH4]+ 262.08388 168.8
[M+K]+ 283.01322 158.9
[M+H-H2O]+ 227.04732 143.6
[M+HCOO]- 289.04826 178.0
[M+CH3COO]- 303.06391 190.1
[M+Na-2H]- 265.02473 153.3
[M]+ 244.04951 156.4
[M]- 244.05061 156.4
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