CID 70598

Tris(hydroxymethyl)phosphine oxide

Structural Information

Molecular Formula
C3H9O4P
SMILES
C(O)P(=O)(CO)CO
InChI
InChI=1S/C3H9O4P/c4-1-8(7,2-5)3-6/h4-6H,1-3H2
InChIKey
MRVZORUPSXTRHD-UHFFFAOYSA-N
Compound name
bis(hydroxymethyl)phosphorylmethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

809
Patents

140.02385 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.031126 130.2
[M+Na]+ 163.013068 137.4
[M-H]- 139.016574 125.5
[M+NH4]+ 158.057673 150.3
[M+K]+ 178.987008 136.5
[M+H-H2O]+ 123.021110 124.5
[M+HCOO]- 185.022051 155.0
[M+CH3COO]- 199.037701 164.6
[M+Na-2H]- 160.998516 134.2
[M]+ 140.02330142 130.7
[M]- 140.02439858 130.7
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