CID 116063

63980-90-5

Structural Information

Molecular Formula
C9H11O4PS
SMILES
COP(=O)(OCC1=CC=CO1)SCC#C
InChI
InChI=1S/C9H11O4PS/c1-3-7-15-14(10,11-2)13-8-9-5-4-6-12-9/h1,4-6H,7-8H2,2H3
InChIKey
KMWWEQFDLQMBAC-UHFFFAOYSA-N
Compound name
2-[[methoxy(prop-2-ynylsulfanyl)phosphoryl]oxymethyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.01157 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01885 149.6
[M+Na]+ 269.00079 159.9
[M-H]- 245.00429 152.0
[M+NH4]+ 264.04539 166.6
[M+K]+ 284.97473 158.9
[M+H-H2O]+ 229.00883 136.1
[M+HCOO]- 291.00977 168.3
[M+CH3COO]- 305.02542 195.5
[M+Na-2H]- 266.98624 150.7
[M]+ 246.01102 152.0
[M]- 246.01212 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.