CID 6857927

Fosetyl

Structural Information

Molecular Formula
C2H5O3P
SMILES
CCOP(=O)=O
InChI
InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3
InChIKey
ZUNGGJHBMLMRFJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

35
References

41493
Patents

107.99763 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.00491 116.6
[M+Na]+ 130.98685 125.4
[M-H]- 106.99035 116.4
[M+NH4]+ 126.03145 140.1
[M+K]+ 146.96079 126.6
[M+H-H2O]+ 90.994890 110.4
[M+HCOO]- 152.99583 147.0
[M+CH3COO]- 167.01148 166.9
[M+Na-2H]- 128.97230 120.9
[M]+ 107.99708 120.5
[M]- 107.99818 120.5
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