CID 23418615

2,5-dihydro-1h-1lambda5-phosphol-1-one

Structural Information

Molecular Formula
C4H6OP
SMILES
C1C=CC[P+]1=O
InChI
InChI=1S/C4H6OP/c5-6-3-1-2-4-6/h1-2H,3-4H2/q+1
InChIKey
XPISVGXFBUMWIW-UHFFFAOYSA-N
Compound name
2,5-dihydrophosphol-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

101.015625 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.02290 117.4
[M+Na]+ 124.00484 125.6
[M-H]- 100.00835 120.4
[M+NH4]+ 119.04945 142.5
[M+K]+ 139.97878 120.0
[M+H-H2O]+ 84.012885 113.6
[M+HCOO]- 146.01383 148.1
[M+CH3COO]- 160.02948 158.2
[M+Na-2H]- 121.99029 123.7
[M]+ 101.01508 115.7
[M]- 101.01617 115.7
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