CID 87757

Niagara 16388

Structural Information

Molecular Formula
C12H15O3P
SMILES
CCCOP(=O)(C1=CC=CC=C1)OCC#C
InChI
InChI=1S/C12H15O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3
InChIKey
YSVDXOJUVQMPCX-UHFFFAOYSA-N
Compound name
[propoxy(prop-2-ynoxy)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

147
Patents

238.07588 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08316 151.5
[M+Na]+ 261.06510 160.5
[M-H]- 237.06860 152.3
[M+NH4]+ 256.10970 167.7
[M+K]+ 277.03904 157.2
[M+H-H2O]+ 221.07314 137.6
[M+HCOO]- 283.07408 173.5
[M+CH3COO]- 297.08973 198.4
[M+Na-2H]- 259.05055 154.6
[M]+ 238.07533 150.7
[M]- 238.07643 150.7
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