CID 6436667

Cis-propenylphosphonic acid

Structural Information

Molecular Formula
C3H7O3P
SMILES
C/C=C\P(=O)(O)O
InChI
InChI=1S/C3H7O3P/c1-2-3-7(4,5)6/h2-3H,1H3,(H2,4,5,6)/b3-2-
InChIKey
XWCIXXXLOAAWPU-IHWYPQMZSA-N
Compound name
[(Z)-prop-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

397
Patents

122.01328 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02056 125.0
[M+Na]+ 145.00250 133.2
[M-H]- 121.00600 121.9
[M+NH4]+ 140.04710 146.7
[M+K]+ 160.97644 132.1
[M+H-H2O]+ 105.01054 119.6
[M+HCOO]- 167.01148 151.3
[M+CH3COO]- 181.02713 163.3
[M+Na-2H]- 142.98795 129.5
[M]+ 122.01273 125.3
[M]- 122.01383 125.3
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