CID 252238

53144-70-0

Structural Information

Molecular Formula
C13H16ClO3P
SMILES
C1C2CC(CC1OP(=O)(O2)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C13H16ClO3P/c14-11-6-12-8-13(7-11)17-18(15,16-12)9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKey
RLOFNLGMZGOOGE-UHFFFAOYSA-N
Compound name
3-benzyl-7-chloro-2,4-dioxa-3lambda5-phosphabicyclo[3.3.1]nonane 3-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05983 162.3
[M+Na]+ 309.04177 169.5
[M-H]- 285.04527 167.9
[M+NH4]+ 304.08637 180.1
[M+K]+ 325.01571 167.6
[M+H-H2O]+ 269.04981 153.8
[M+HCOO]- 331.05075 178.8
[M+CH3COO]- 345.06640 197.8
[M+Na-2H]- 307.02722 166.5
[M]+ 286.05200 163.6
[M]- 286.05310 163.6
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.