CID 24913

Methyl phenylphosphonate

Structural Information

Molecular Formula
C7H9O3P
SMILES
COP(=O)(C1=CC=CC=C1)O
InChI
InChI=1S/C7H9O3P/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)
InChIKey
ZWBALHRZGYPNNG-UHFFFAOYSA-N
Compound name
methoxy(phenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

966
Patents

172.02893 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03621 135.3
[M+Na]+ 195.01815 143.2
[M-H]- 171.02165 136.7
[M+NH4]+ 190.06275 155.4
[M+K]+ 210.99209 142.1
[M+H-H2O]+ 155.02619 128.0
[M+HCOO]- 217.02713 163.4
[M+CH3COO]- 231.04278 175.1
[M+Na-2H]- 193.00360 140.8
[M]+ 172.02838 137.1
[M]- 172.02948 137.1
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