CID 161568

Nia 16824

Structural Information

Molecular Formula
C13H17O3P
SMILES
CC(C)COP(=O)(C1=CC=CC=C1)OCC#C
InChI
InChI=1S/C13H17O3P/c1-4-10-15-17(14,16-11-12(2)3)13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
InChIKey
ZILCWJCEYQKAFV-UHFFFAOYSA-N
Compound name
[2-methylpropoxy(prop-2-ynoxy)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

252.09154 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09882 156.4
[M+Na]+ 275.08076 164.8
[M-H]- 251.08426 157.1
[M+NH4]+ 270.12536 172.0
[M+K]+ 291.05470 161.7
[M+H-H2O]+ 235.08880 142.4
[M+HCOO]- 297.08974 177.2
[M+CH3COO]- 311.10539 201.8
[M+Na-2H]- 273.06621 157.9
[M]+ 252.09099 155.3
[M]- 252.09209 155.3
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

patents stripe