CID 73186

(ethoxycarbonyl)phosphonic acid

Structural Information

Molecular Formula
C3H7O5P
SMILES
CCOC(=O)P(=O)(O)O
InChI
InChI=1S/C3H7O5P/c1-2-8-3(4)9(5,6)7/h2H2,1H3,(H2,5,6,7)
InChIKey
WBIAZONFXLIADH-UHFFFAOYSA-N
Compound name
ethoxycarbonylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

101
Patents

154.00311 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01039 129.2
[M+Na]+ 176.99233 137.0
[M-H]- 152.99583 126.2
[M+NH4]+ 172.03693 149.5
[M+K]+ 192.96627 137.5
[M+H-H2O]+ 137.00037 123.4
[M+HCOO]- 199.00131 155.1
[M+CH3COO]- 213.01696 168.5
[M+Na-2H]- 174.97778 133.0
[M]+ 154.00256 131.8
[M]- 154.00366 131.8
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