CID 557541

Isopropenylphosphonic acid

Structural Information

Molecular Formula
C3H7O3P
SMILES
CC(=C)P(=O)(O)O
InChI
InChI=1S/C3H7O3P/c1-3(2)7(4,5)6/h1H2,2H3,(H2,4,5,6)
InChIKey
YOKDQEBPBYOXHX-UHFFFAOYSA-N
Compound name
prop-1-en-2-ylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

979
Patents

122.01328 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02056 124.5
[M+Na]+ 145.00250 132.5
[M-H]- 121.00600 121.5
[M+NH4]+ 140.04710 146.1
[M+K]+ 160.97644 131.9
[M+H-H2O]+ 105.01054 119.2
[M+HCOO]- 167.01148 149.9
[M+CH3COO]- 181.02713 164.8
[M+Na-2H]- 142.98795 127.9
[M]+ 122.01273 124.3
[M]- 122.01383 124.3
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