CID 53160

75023-58-4

Structural Information

Molecular Formula
C12H17O3P
SMILES
CC1OC(P(=O)(C(O1)C)C2=CC=CC=C2)C
InChI
InChI=1S/C12H17O3P/c1-9-14-10(2)16(13,11(3)15-9)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey
IBJXJZBNSLCQQQ-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-5-phenyl-1,3,5lambda5-dioxaphosphinane 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09154 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09882 154.3
[M+Na]+ 263.08076 162.3
[M-H]- 239.08426 161.4
[M+NH4]+ 258.12536 172.1
[M+K]+ 279.05470 162.8
[M+H-H2O]+ 223.08880 145.8
[M+HCOO]- 285.08974 179.1
[M+CH3COO]- 299.10539 192.6
[M+Na-2H]- 261.06621 157.2
[M]+ 240.09099 155.9
[M]- 240.09209 155.9
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

No patent data available for this compound.